Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 20 results

Search term: RMRCNWBMXRMIRW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24921423

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.3652242000
10469504

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32?,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.36521655157460
28428715

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/rC62H90N13O14P.CCoN/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;2-1-3/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
C63H88CoN14O14P1355.36529400
81132941

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)36(13-16-45(67)81)51(76-63)33(4)55-61(9,24-48(70)84)35(12-15-44(66)80)39(74-55)23-43-59(6,7)37(14-17-46(68)82)52(78(43)64-28-65)34(5)56(60)75-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b43-23-,52-34-,55-33-/t32-,35-,36-,37-,38+,42-,53-,54-,57?,58+,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.36525400
82962776

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m0../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33+,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m0/s1
C63H88CoN14O14P1355.36522100
114642012

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34+,35-,36+,37+,41-,52+,53-,56?,57+,59-,60+,61+,62-;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)36(13-16-45(67)81)51(76-63)33(4)55-61(9,24-48(70)84)35(12-15-44(66)80)39(74-55)23-43-59(6,7)37(14-17-46(68)82)52(78(43)64-28-65)34(5)56(60)75-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b43-23-,52-34-,55-33-/t32-,35+,36+,37-,38+,42-,53+,54-,57?,58+,60-,61+,62+,63-/m1/s1
C63H88CoN14O14P1355.36522200
21169405

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57?,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58?,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.365221100
24828507

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23u,51-33-,52-34-/t32?,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.36521100
115052921

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35+,36-,37-,41-,52+,53-,56-,57+,59-,60-,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36+,37-,38-,42-,53+,54-,57-,58+,60-,61-,62+,63+/m1/s1
C63H88CoN14O14P1355.36521100
128924372

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37-,41-,52-,53+,56-,57+,59-,60-,61-,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38-,42-,53-,54+,57-,58+,60-,61-,62-,63+/m1/s1
C63H88CoN14O14P1355.36521100
30791057

Charge

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(76-63)33(4)55-61(9,24-48(70)84)35(12-15-44(66)80)39(74-55)23-43-59(6,7)36(13-16-45(67)81)51(75-43)34(5)56(60)78(57)64-28-65/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b43-23-,55-33-,56-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57?,58+,60-,61+,62+,63+/m1/s1
C63H88CoN14O14P1355.36521200
57641762

Charge

14 of 14 defined stereocentres - 14/14 defined

Non-standard isotope
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/i;;1+1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1/i64+1
C63H8860CoN14O14P1356.36581100
57641763

Charge

14 of 14 defined stereocentres - 14/14 defined

Non-standard isotope
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/i;;1-2/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1/i64-2
C63H8857CoN14O14P1353.36831100
57641764

Charge

14 of 14 defined stereocentres - 14/14 defined

Non-standard isotope
InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/i;;1-1/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1/b39-23-,51-33-,52-34-/t32-,35-,36-,37-,38+,42-,53-,54-,57-,58+,60-,61+,62+,63+/m1/s1/i64-1
C63H8858CoN14O14P1354.36771100

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