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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 39 results

Search term: C53H86O21 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10252133

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.2373141200
9941301

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O21/c1-23-32(57)41(73-44-38(63)36(61)40(28(21-55)70-44)72-43-37(62)35(60)34(59)27(20-54)69-43)39(64)45(68-23)74-42-33(58)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,47(65)66)18-16-51(24,52)7/h9,23,25-46,54-64H,10-22H2,1-8H3,(H,65,66)/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.2373121200
84487409

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3/t22-,23+,24+,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44+,45+,46+,47+,50+,51-,52-,53+/m1/s1
C53H86O211059.23736400
90615868

25 of 27 defined stereocentres - 25/27 defined
InChI=1/C53H86O21/c1-23-32(57)35(60)38(63)43(68-23)73-42-41(72-44-39(64)36(61)33(58)27(20-54)69-44)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-40(65)37(62)34(59)28(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.23735300
390504

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)/t22-,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53+/m0/s1
C53H86O211059.23735500
10269634

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O21/c1-23-32(57)35(60)38(63)43(68-23)73-42-41(72-44-39(64)36(61)33(58)27(20-54)69-44)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-40(65)37(62)34(59)28(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.23734400
28491898

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O21/c1-23-32(57)36(61)39(64)43(68-23)74-42-38(63)34(59)25(20-55)70-46(42)71-26-21-66-45(41(35(26)60)73-44-40(65)37(62)33(58)24(19-54)69-44)72-31-11-12-49(6)27(48(31,4)5)9-13-50(7)28(49)10-14-53-29-17-47(2,3)15-16-52(29,22-67-53)30(56)18-51(50,53)8/h23-29,31-46,54-55,57-65H,9-22H2,1-8H3/t23-,24+,25+,26-,27-,28+,29+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50+,51-,52+,53-/m0/s1
C53H86O211059.23734500
114928714

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C53H86O21/c1-22-11-16-53(48(66)74-47-41(64)37(60)35(58)28(71-47)21-68-44-42(65)38(61)43(27(19-54)70-44)73-46-40(63)36(59)33(56)24(3)69-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)72-45-39(62)34(57)26(55)20-67-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3/t22-,23+,24+,26+,27-,28-,29?,30?,31+,32+,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,50+,51-,52-,53+/m1/s1
C53H86O211059.23734400
82965050

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,50+,51-,52-,53+/m0/s1
C53H86O211059.23733200
24713799

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.23732200
10142412

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)/t22-,23-,25+,26-,27-,28+,29-,30?,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,50+,51-,52-,53-/m1/s1
C53H86O211059.23732200
10142489

23 of 27 defined stereocentres - 23/27 defined
InChI=1/C53H86O21/c1-23-32(57)35(60)38(63)43(68-23)73-42-41(72-44-39(64)36(61)33(58)27(20-54)69-44)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-40(65)37(62)34(59)28(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25?,26+,27-,28-,29?,30?,31?,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46+,50+,51-,52-,53+/m1/s1
C53H86O211059.23732200
10142526

25 of 29 defined stereocentres - 25/29 defined
InChI=1/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3/t22-,23+,24-,26-,27-,28-,29?,30?,31?,32?,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+,47+,50+,51-,52-,53+/m1/s1
C53H86O211059.23732200
3681306

0 of 28 defined stereocentres - 0/28 defined
InChI=1/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)
C53H86O211059.237342100
4057373

0 of 27 defined stereocentres - 0/27 defined
InChI=1/C53H86O21/c1-23-42(73-44-38(62)32(56)26(55)21-67-44)37(61)41(65)45(69-23)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-46-40(64)36(60)34(58)28(71-46)22-68-43-39(63)35(59)33(57)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3
C53H86O211059.237342100
8117096

20 of 27 defined stereocentres - 20/27 defined
InChI=1/C53H86O21/c1-23-32(57)35(60)38(63)43(68-23)73-42-41(72-44-39(64)36(61)33(58)27(20-54)69-44)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-40(65)37(62)34(59)28(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25?,26-,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43?,44?,45?,46?,50-,51+,52+,53-/m0/s1
C53H86O211059.23732100
8661692

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C53H86O21/c1-23-32(56)36(60)38(62)44(68-23)74-42-35(59)27(20-54)70-46(40(42)64)73-41-33(57)24(2)69-45(39(41)63)71-28-21-67-43(37(61)34(28)58)72-31-12-13-49(5)29(50(31,6)22-55)11-14-52(8)30(49)10-9-25-26-19-48(3,4)15-17-53(26,47(65)66)18-16-51(25,52)7/h9,23-24,26-46,54-64H,10-22H2,1-8H3,(H,65,66)/t23-,24-,26+,27+,28+,29?,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O211059.23732100
8805302

25 of 27 defined stereocentres - 25/27 defined
InChI=1/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25?,26+,27+,28+,29?,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,50-,51+,52+,53-/m0/s1
C53H86O211059.23732100
9073673

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C53H86O21/c1-22(2)17-31(56)68-21-53-25(18-48(4,5)42(64)43(53)65)24-11-12-28-50(8)15-14-30(49(6,7)27(50)13-16-51(28,9)52(24,10)19-29(53)55)71-47-40(73-46-37(62)35(60)33(58)26(20-54)70-46)38(63)39(41(74-47)44(66)67)72-45-36(61)34(59)32(57)23(3)69-45/h11,22-23,25-30,32-43,45-47,54-55,57-65H,12-21H2,1-10H3,(H,66,67)/t23-,25-,26+,27-,28+,29+,30-,32-,33-,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,45-,46-,47+,50-,51+,52+,53-/m0/s1
C53H86O211059.23732100
9643680

25 of 28 defined stereocentres - 25/28 defined
InChI=1/C53H86O21/c1-22-32(57)36(61)39(64)43(68-22)72-41-34(59)26(55)21-67-45(41)74-47(66)53-17-16-48(3,4)18-25(53)24-10-11-29-50(7)14-13-31(49(5,6)28(50)12-15-51(29,8)52(24,9)19-30(53)56)71-46-42(38(63)35(60)27(20-54)70-46)73-44-40(65)37(62)33(58)23(2)69-44/h10,22-23,25-46,54-65H,11-21H2,1-9H3/t22-,23-,25?,26-,27+,28?,29?,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53+/m0/s1
C53H86O211059.23732100
12

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