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
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Found 2 results

Search term: WOJHPNQVQSSJML (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8254628

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C42H61N7O7S/c1-8-25(4)33-38(53)44-29(23-56-42(6,7)10-3)35(50)43-28(22-27-16-12-11-13-17-27)40(54)49-21-15-19-32(49)39-45-30(24-57-39)36(51)47-34(26(5)9-2)41(55)48-20-14-18-31(48)37(52)46-33/h10-13,16-17,25-26,28-34H,3,8-9,14-15,18-24H2,1-2,4-7H3,(H,43,50)(H,44,53)(H,46,52)(H,47,51)/t25-,26-,28-,29-,30-,31-,32-,33-,34-/m0/s1
C42H61N7O7S808.04144300
67165758

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C42H61N7O7S/c1-8-25(4)33-38(53)44-29(23-56-42(6,7)10-3)35(50)43-28(22-27-16-12-11-13-17-27)40(54)49-21-15-19-32(49)39-45-30(24-57-39)36(51)47-34(26(5)9-2)41(55)48-20-14-18-31(48)37(52)46-33/h10-13,16-17,25-26,28-34H,3,8-9,14-15,18-24H2,1-2,4-7H3,(H,43,50)(H,44,53)(H,46,52)(H,47,51)/t25?,26?,28-,29-,30-,31-,32-,33-,34-/m0/s1
C42H61N7O7S808.04141100

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