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 5 results

Search term: OPJKXOWSIGSXPM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17292148

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C75H62O30/c76-28-16-40(87)51-50(17-28)102-69(24-2-7-31(78)36(83)12-24)64(97)59(51)53-41(88)19-43(90)55-61(66(99)71(104-73(53)55)26-4-9-33(80)38(85)14-26)57-45(92)21-46(93)58-62(67(100)72(105-75(57)58)27-5-10-34(81)39(86)15-27)56-44(91)20-42(89)54-60(65(98)70(103-74(54)56)25-3-8-32(79)37(84)13-25)52-47(94)22-49-29(63(52)96)18-48(95)68(101-49)23-1-6-30(77)35(82)11-23/h1-17,19-22,48,59-62,64-72,76-100H,18H2
C75H62O301443.27681100
17314756

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C75H62O30/c76-28-16-40(87)51-50(17-28)102-69(24-2-7-31(78)36(83)12-24)64(97)59(51)53-41(88)19-43(90)55-61(66(99)71(104-73(53)55)26-4-9-33(80)38(85)14-26)57-45(92)21-46(93)58-62(67(100)72(105-75(57)58)27-5-10-34(81)39(86)15-27)56-44(91)20-42(89)54-60(65(98)70(103-74(54)56)25-3-8-32(79)37(84)13-25)52-47(94)22-49-29(63(52)96)18-48(95)68(101-49)23-1-6-30(77)35(82)11-23/h1-17,19-22,48,59-62,64-72,76-100H,18H2/t48-,59-,60+,61-,62+,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
C75H62O301443.27681100
17335467

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C75H62O30/c76-28-16-40(87)51-50(17-28)102-69(24-2-7-31(78)36(83)12-24)64(97)59(51)53-41(88)19-43(90)55-61(66(99)71(104-73(53)55)26-4-9-33(80)38(85)14-26)57-45(92)21-46(93)58-62(67(100)72(105-75(57)58)27-5-10-34(81)39(86)15-27)56-44(91)20-42(89)54-60(65(98)70(103-74(54)56)25-3-8-32(79)37(84)13-25)52-47(94)22-49-29(63(52)96)18-48(95)68(101-49)23-1-6-30(77)35(82)11-23/h1-17,19-22,48,59-62,64-72,76-100H,18H2/t48-,59?,60?,61?,62?,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
C75H62O301443.27681100
17341613

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C75H62O30/c76-28-16-40(87)51-50(17-28)102-69(24-2-7-31(78)36(83)12-24)64(97)59(51)53-41(88)19-43(90)55-61(66(99)71(104-73(53)55)26-4-9-33(80)38(85)14-26)57-45(92)21-46(93)58-62(67(100)72(105-75(57)58)27-5-10-34(81)39(86)15-27)56-44(91)20-42(89)54-60(65(98)70(103-74(54)56)25-3-8-32(79)37(84)13-25)52-47(94)22-49-29(63(52)96)18-48(95)68(101-49)23-1-6-30(77)35(82)11-23/h1-17,19-22,48,59-62,64-72,76-100H,18H2/t48-,59?,60?,61?,62?,64+,65+,66+,67+,68+,69+,70+,71+,72+/m0/s1
C75H62O301443.27681100
30790814

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C75H62O30/c76-28-16-40(87)51-50(17-28)102-69(24-2-7-31(78)36(83)12-24)64(97)59(51)53-41(88)19-43(90)55-61(66(99)71(104-73(53)55)26-4-9-33(80)38(85)14-26)57-45(92)21-46(93)58-62(67(100)72(105-75(57)58)27-5-10-34(81)39(86)15-27)56-44(91)20-42(89)54-60(65(98)70(103-74(54)56)25-3-8-32(79)37(84)13-25)52-47(94)22-49-29(63(52)96)18-48(95)68(101-49)23-1-6-30(77)35(82)11-23/h1-17,19-22,48,59-62,64-72,76-100H,18H2/t48-,59+,60-,61+,62-,64+,65+,66+,67+,68+,69+,70+,71+,72+/m0/s1
C75H62O301443.27681100

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