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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 14 results

Search term: C52H91N7O13 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8504135

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37-,38+,39+,40-,41-,45-/m0/s1
C52H91N7O131022.3184300
35517104

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C52H91N7O13/c1-12-34(10)21-19-17-15-13-14-16-18-20-22-36-28-42(60)54-37(23-24-43(61)62)47(66)59-45(33(8)9)51(70)57-38(25-30(2)3)48(67)53-35(11)46(65)55-40(29-44(63)64)50(69)56-39(26-31(4)5)49(68)58-41(27-32(6)7)52(71)72-36/h30-41,45H,12-29H2,1-11H3,(H,53,67)(H,54,60)(H,55,65)(H,56,69)(H,57,70)(H,58,68)(H,59,66)(H,61,62)(H,63,64)/t34?,35-,36+,37-,38-,39-,40-,41-,45-/m0/s1
C52H91N7O131022.3184400
8639148

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35/h30-41,45H,12-29H2,1-11H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37-,38+,39+,40-,41-,45-/m0/s1
C52H91N7O131022.3183200
8971411

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35/h30-41,45H,12-29H2,1-11H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1
C52H91N7O131022.3183200
26393825

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-11-12-13-14-15-16-17-18-19-20-21-22-36-29-43(60)54-37(23-24-44(61)62)47(66)56-39(26-32(4)5)49(68)57-38(25-31(2)3)48(67)53-35(10)46(65)55-41(30-45(63)64)51(70)58-40(27-33(6)7)50(69)59-42(28-34(8)9)52(71)72-36/h31-42H,11-30H2,1-10H3,(H,53,67)(H,54,60)(H,55,65)(H,56,66)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37-,38-,39-,40-,41-,42-/m0/s1
C52H91N7O131022.3183300
28533731

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1
C52H91N7O131022.3183400
8394727

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C52H91N7O13/c1-29(2)20-18-16-14-13-15-17-19-21-35-27-41(60)53-36(22-23-42(61)62)46(65)54-37(24-30(3)4)47(66)55-38(25-31(5)6)49(68)58-44(33(9)10)51(70)57-40(28-43(63)64)48(67)56-39(26-32(7)8)50(69)59-45(34(11)12)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,66)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37-,38+,39+,40-,44-,45-/m0/s1
C52H91N7O131022.3182100
8995155

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35/h30-41,45H,12-29H2,1-11H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36-,37-,38+,39+,40-,41-,45-/m0/s1
C52H91N7O131022.3182100
24604426

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m0/s1
C52H91N7O131022.3181100
78436831

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-35-28-41(60)53-36(23-24-42(61)62)46(65)58-44(33(8)9)50(69)55-38(26-31(4)5)49(68)59-45(34(10)11)51(70)56-39(29-43(63)64)48(67)54-37(25-30(2)3)47(66)57-40(27-32(6)7)52(71)72-35/h30-40,44-45H,12-29H2,1-11H3,(H,53,60)(H,54,67)(H,55,69)(H,56,70)(H,57,66)(H,58,65)(H,59,68)(H,61,62)(H,63,64)/t35-,36+,37+,38+,39+,40+,44+,45+/m1/s1
C52H91N7O131022.3181100
78439864

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C52H91N7O13/c1-12-34(10)21-19-17-15-13-14-16-18-20-22-36-28-42(60)54-37(23-24-43(61)62)47(66)59-45(33(8)9)51(70)57-38(25-30(2)3)48(67)53-35(11)46(65)55-40(29-44(63)64)50(69)56-39(26-31(4)5)49(68)58-41(27-32(6)7)52(71)72-36/h30-41,45H,12-29H2,1-11H3,(H,53,67)(H,54,60)(H,55,65)(H,56,69)(H,57,70)(H,58,68)(H,59,66)(H,61,62)(H,63,64)/t34?,35-,36+,37-,38-,39-,40+,41+,45+/m0/s1
C52H91N7O131022.3181100
78445582

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C52H91N7O13/c1-13-34(12)45-51(70)57-40(28-44(63)64)49(68)55-38(24-31(6)7)48(67)58-41(26-33(10)11)52(71)72-35(20-18-16-14-15-17-19-29(2)3)27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(4)5)47(66)56-39(25-32(8)9)50(69)59-45/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t34?,35?,36-,37+,38?,39?,40+,41?,45+/m1/s1
C52H91N7O131022.3181100
78445583

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C52H91N7O13/c1-29(2)18-16-14-13-15-17-19-35-27-43(60)53-36(20-21-44(61)62)46(65)54-37(22-30(3)4)47(66)55-38(23-31(5)6)48(67)56-39(24-32(7)8)49(68)58-41(28-45(63)64)51(70)57-40(25-33(9)10)50(69)59-42(26-34(11)12)52(71)72-35/h29-42H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,66)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37+,38?,39+,40?,41+,42?/m1/s1
C52H91N7O131022.3181100
78445596

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C52H91N7O13/c1-13-32(10)43-50(69)55-38(26-31(8)9)48(67)58-44(33(11)14-2)51(70)56-39(28-42(63)64)47(66)54-37(25-30(6)7)49(68)59-45(34(12)15-3)52(71)72-35(22-20-18-16-17-19-21-29(4)5)27-40(60)53-36(46(65)57-43)23-24-41(61)62/h29-39,43-45H,13-28H2,1-12H3,(H,53,60)(H,54,66)(H,55,69)(H,56,70)(H,57,65)(H,58,67)(H,59,68)(H,61,62)(H,63,64)/t32?,33?,34?,35?,36-,37-,38?,39+,43+,44+,45+/m1/s1
C52H91N7O131022.3181100

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