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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 46 results

Search term: C53H86O23 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9804218

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C53H86O23/c1-22-40(73-43-37(65)31(59)26(58)20-69-43)36(64)39(67)44(70-22)74-41-35(63)33(61)28(19-55)72-46(41)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(57)42(75-45-38(66)34(62)32(60)27(18-54)71-45)50(5,21-56)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24-,25-,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
C53H86O231091.2361312600
165806

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C53H86O23/c1-22-32(58)36(62)40(66)44(71-22)75-42-33(59)25(56)19-69-46(42)74-31-11-12-49(4)28(50(31,5)21-55)10-13-51(6)29(49)9-8-23-24-16-48(2,3)14-15-53(24,30(57)17-52(23,51)7)47(68)76-45-41(67)38(64)35(61)27(73-45)20-70-43-39(65)37(63)34(60)26(18-54)72-43/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24+,25-,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
C53H86O231091.23616500
9204731

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-20(2)9-12-30(56)21(3)35-31(72-50-44(66)41(63)38(60)33(74-50)19-68-24(6)55)16-29-27-11-10-25-15-26(13-14-52(25,7)28(27)17-34(57)53(29,35)8)71-51-47(76-49-43(65)40(62)37(59)23(5)70-49)45(67)46(32(18-54)73-51)75-48-42(64)39(61)36(58)22(4)69-48/h10,20-23,26-33,35-51,54,56,58-67H,9,11-19H2,1-8H3/t21-,22+,23+,26+,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45+,46-,47-,48+,49+,50-,51-,52+,53-/m1/s1
C53H86O231091.23614300
65018125

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)41(66)42(49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)/t21-,23-,24-,25+,26?,27?,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1
C53H86O231091.23614200
65258404

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C53H86O23/c1-22-40(73-43-37(65)31(59)26(58)20-69-43)36(64)39(67)44(70-22)74-41-35(63)33(61)28(19-55)72-46(41)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(57)42(75-45-38(66)34(62)32(60)27(18-54)71-45)50(5,21-56)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24-,25-,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
C53H86O231091.23614300
17267165

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-22-31(58)35(62)38(65)42(69-22)75-41-37(64)33(60)24(19-55)71-45(41)72-25-20-68-44(40(34(25)61)74-43-39(66)36(63)32(59)23(18-54)70-43)73-30-10-11-49(5)26(47(30,2)3)8-12-50(6)27(49)9-13-53-28-16-48(4,21-56)14-15-52(28,46(67)76-53)29(57)17-51(50,53)7/h22-45,54-66H,8-21H2,1-7H3/t22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51-,52+,53-/m0/s1
C53H86O231091.23613300
8186993

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)41(66)42(49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1
C53H86O231091.23613200
8436087

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O23/c1-48(2)29-10-13-51(5)30(9-8-23-24-16-49(3,47(67)68-7)14-15-53(24,22-56)31(58)17-52(23,51)6)50(29,4)12-11-32(48)74-45-41(76-44-40(66)37(63)34(60)26(18-54)71-44)36(62)28(21-70-45)73-46-42(38(64)35(61)27(19-55)72-46)75-43-39(65)33(59)25(57)20-69-43/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25+,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
C53H86O231091.23612100
8549395

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C53H86O23/c1-22-32(58)36(62)40(66)44(71-22)75-42-33(59)25(56)19-69-46(42)74-31-11-12-49(4)28(50(31,5)21-55)10-13-51(6)29(49)9-8-23-24-16-48(2,3)14-15-53(24,30(57)17-52(23,51)7)47(68)76-45-41(67)38(64)35(61)27(73-45)20-70-43-39(65)37(63)34(60)26(18-54)72-43/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24-,25-,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
C53H86O231091.23612100
8616620

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O23/c1-23-31(59)34(62)36(64)42(70-23)74-39-38(73-45-40(66)53(68,21-57)22-69-45)33(61)28(19-55)72-44(39)76-46(67)52-14-12-47(2,3)16-25(52)24-8-9-30-48(4)17-26(58)41(75-43-37(65)35(63)32(60)27(18-54)71-43)49(5,20-56)29(48)10-11-51(30,7)50(24,6)13-15-52/h8,23,25-45,54-66,68H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42-,43-,44-,45-,48-,49-,50+,51+,52-,53+/m0/s1
C53H86O231091.23612100
8709598

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24?,25+,26+,27?,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+/m0/s1
C53H86O231091.23612100
8805347

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C53H86O23/c1-48(2)13-14-52(47(68)76-45-40(67)37(64)34(61)28(20-56)72-45)15-16-53(22-57)23(24(52)17-48)7-8-30-50(5)11-10-31(49(3,4)29(50)9-12-51(30,53)6)73-46-42(75-44-39(66)36(63)33(60)27(19-55)71-44)41(25(58)21-69-46)74-43-38(65)35(62)32(59)26(18-54)70-43/h7,24-46,54-67H,8-22H2,1-6H3/t24-,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
C53H86O231091.23612100
8853009

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3/t23?,24-,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
C53H86O231091.23612100
8900204

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C53H86O23/c1-22-32(58)36(62)39(65)43(70-22)76-42-38(64)34(60)26(19-55)72-46(42)73-27-20-69-45(41(35(27)61)75-44-40(66)37(63)33(59)25(18-54)71-44)74-31-11-12-50(5)28(48(31,2)3)10-13-51(6)29(50)9-8-23-24-16-49(4,47(67)68)14-15-53(24,21-56)30(57)17-52(23,51)7/h8,22,24-46,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24-,25+,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
C53H86O231091.23612100
8971535

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C53H86O23/c1-22-31(57)35(61)38(64)42(70-22)76-41-37(63)33(59)24(19-55)72-45(41)73-25-20-68-44(40(34(25)60)75-43-39(65)36(62)32(58)23(18-54)71-43)74-30-10-11-49(5)26(47(30,2)3)8-12-50(6)27(49)9-13-53-28-16-48(4,46(66)67)14-15-52(28,21-69-53)29(56)17-51(50,53)7/h22-45,54-65H,8-21H2,1-7H3,(H,66,67)/t22-,23+,24+,25-,26-,27+,28?,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51-,52+,53-/m0/s1
C53H86O231091.23612100
9019085

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C53H86O23/c1-22-9-14-52(48(68)76-46-41(67)38(64)35(61)28(19-56)72-46)15-16-53(21-57)24(32(52)23(22)2)7-8-30-50(5)12-11-31(49(3,4)29(50)10-13-51(30,53)6)73-47-43(75-45-40(66)37(63)34(60)27(18-55)71-45)42(25(58)20-69-47)74-44-39(65)36(62)33(59)26(17-54)70-44/h7,22-23,25-47,54-67H,8-21H2,1-6H3/t22-,23+,25+,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
C53H86O231091.23612100
9052157

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)42(41(66)49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)/t21-,23+,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1
C53H86O231091.23612100
9258821

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C53H86O23/c1-22(2)10-9-15-51(7)52(66)17-13-25-24-11-12-30-49(4,5)32(14-16-50(30,6)26(24)18-31(57)53(25,52)48(65)76-51)72-47-43(33(58)27(56)21-68-47)75-44-37(62)36(61)40(23(3)69-44)73-46-39(64)42(35(60)29(20-55)71-46)74-45-38(63)41(67-8)34(59)28(19-54)70-45/h11,22-23,25-47,54-64,66H,9-10,12-21H2,1-8H3/t23-,25+,26+,27-,28-,29-,30?,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51-,52+,53-/m1/s1
C53H86O231091.23612100
9403624

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-22-30(58)33(61)37(65)45(71-22)74-39-32(60)26(57)19-70-46(39)75-40-35(63)34(62)38(43(67)68-8)73-47(40)72-29-12-13-50(4)27(51(29,5)21-55)11-14-53(7)28(50)10-9-23-24-17-48(2,20-54)41(66)42(49(24,3)15-16-52(23,53)6)76-44-36(64)31(59)25(56)18-69-44/h9,22,24-42,44-47,54-66H,10-21H2,1-8H3/t22-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,44-,45-,46-,47+,48+,49+,50-,51+,52+,53+/m0/s1
C53H86O231091.23612100
10142548

19 of 28 defined stereocentres - 19/28 defined
InChI=1/C53H86O23/c1-48(2)13-15-53(47(68)76-45-40(67)37(64)34(61)28(20-56)72-45)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(50(4,22-57)29(49)9-12-52(30,51)6)73-46-42(75-44-39(66)36(63)33(60)27(19-55)71-44)41(25(58)21-69-46)74-43-38(65)35(62)32(59)26(18-54)70-43/h7,24-46,54-67H,8-22H2,1-6H3/t24?,25-,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?/m1/s1
C53H86O231091.23612200
123

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