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 89 results

Search term: C53H86O22 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10254813

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.2367353400
10259282

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.2367262500
9868482

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,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
C53H86O221075.23674151400
8616585

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52+,53-/m0/s1
C53H86O221075.2367121100
23340146

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O22/c1-22(2)24-10-15-53(48(67)75-47-41(65)37(61)35(59)28(72-47)20-69-44-42(66)38(62)43(27(18-54)71-44)74-46-40(64)36(60)33(57)23(3)70-46)17-16-51(6)25(32(24)53)8-9-30-49(4)13-12-31(73-45-39(63)34(58)26(56)19-68-45)50(5,21-55)29(49)11-14-52(30,51)7/h23-47,54-66H,1,8-21H2,2-7H3/t23-,24-,25+,26-,27+,28+,29+,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.236712900
34984728

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.2367101000
65905

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-42(75-46-40(64)36(60)33(57)27(73-46)20-68-43-39(63)35(59)32(56)26(19-54)71-43)37(61)41(65)45(70-23)72-28-21-69-44(38(62)34(28)58)74-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,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
C53H86O221075.23677600
22913841

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.23677400
29814853

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C53H86O22/c1-22-31(58)34(61)38(65)45(69-22)75-42-39(72-44-37(64)32(59)25(56)20-68-44)33(60)26(19-54)70-47(42)74-41-36(63)35(62)40(43(66)67)73-46(41)71-30-12-13-50(5)27(51(30,6)21-55)11-14-53(8)28(50)10-9-23-24-17-48(2,3)18-29(57)49(24,4)15-16-52(23,53)7/h9,22,24-42,44-47,54-65H,10-21H2,1-8H3,(H,66,67)/t22-,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
C53H86O221075.23677500
23551058

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C53H86O22/c1-23-32(57)35(60)38(63)44(69-23)72-28-21-68-43(41(66)42(28)74-45-39(64)36(61)33(58)26(19-54)70-45)73-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-46-40(65)37(62)34(59)27(20-55)71-46/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.23676400
90615835

25 of 27 defined stereocentres - 25/27 defined
InChI=1/C53H86O22/c1-22-43(74-46-40(64)36(60)33(57)27(20-55)71-46)38(62)42(66)45(69-22)73-31-12-14-52(7)29(50(31,4)5)11-13-51(6)24-10-15-53(17-16-49(2,3)18-25(53)23(24)8-9-30(51)52)48(67)75-47-41(65)37(61)34(58)28(72-47)21-68-44-39(63)35(59)32(56)26(19-54)70-44/h22,25-47,54-66H,8-21H2,1-7H3/t22-,25+,26-,27-,28-,29?,30?,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,45+,46+,47+,51+,52+,53-/m1/s1
C53H86O221075.23675300
114928716

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)37(61)35(59)28(72-47)20-69-44-42(66)38(62)43(27(18-54)71-44)74-46-40(64)36(60)33(57)24(3)70-46)17-16-51(6)25(32(53)23(22)2)8-9-30-49(4)13-12-31(73-45-39(63)34(58)26(56)19-68-45)50(5,21-55)29(49)11-14-52(30,51)7/h8,22-24,26-47,54-66H,9-21H2,1-7H3/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+,49+,50+,51-,52-,53+/m1/s1
C53H86O221075.23675500
22913498

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C53H86O22/c1-22(2)15-24-16-51(8,65)43-25-9-10-30-49(6)13-12-31(48(4,5)29(49)11-14-50(30,7)52(25)20-53(43,75-24)68-21-52)72-47-42(74-45-39(63)35(59)32(56)23(3)69-45)41(26(55)18-66-47)73-46-40(64)37(61)34(58)28(71-46)19-67-44-38(62)36(60)33(57)27(17-54)70-44/h15,23-47,54-65H,9-14,16-21H2,1-8H3/t23-,24?,25+,26-,27+,28+,29-,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44+,45-,46-,47-,49-,50+,51-,52-,53-/m0/s1
C53H86O221075.23675200
17343414

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.23674300
65906

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C53H86O22/c1-23-41(74-46-42(36(61)33(58)27(20-55)71-46)75-45-39(64)35(60)32(57)26(19-54)70-45)37(62)40(65)44(69-23)72-28-21-68-43(38(63)34(28)59)73-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,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
C53H86O221075.23674400
2340598

26 of 30 defined stereocentres - 26/30 defined
InChI=1/C53H86O22/c1-23-32(58)35(61)38(64)43(69-23)72-26-20-67-46(42(75-45-40(66)37(63)34(60)25(19-55)71-45)41(26)74-44-39(65)36(62)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)17-30(57)52(29,22-68-53)15-14-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24+,25+,26-,27?,28+,29?,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44+,45-,46-,48-,49-,50+,51-,52?,53?/m0/s1
C53H86O221075.236744400
115011202

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C53H86O22/c1-22-11-16-53(47(66)75-44-39(65)36(62)33(59)26(19-54)70-44)18-17-50(6)24(42(53)52(22,8)67)9-10-29-49(5)14-13-30(48(3,4)28(49)12-15-51(29,50)7)72-45-40(32(58)25(56)21-68-45)74-46-41(37(63)34(60)27(20-55)71-46)73-43-38(64)35(61)31(57)23(2)69-43/h9,22-23,25-46,54-65,67H,10-21H2,1-8H3/t22-,23-,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
C53H86O221075.23674400
90615878

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-50(5)29(48(31,2)3)10-13-52(7)30(50)9-8-24-25-18-49(4,22-55)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,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-,46-,49+,50-,51+,52+,53-/m0/s1
C53H86O221075.23674200
58802471

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.23674400
84487534

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,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-,46-,49-,50-,51+,52+,53-/m0/s1
C53H86O221075.23674200
12345

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