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 2 results

Search term: XOQAGRBYSGVENC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3523806

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C39H35N3O6S/c1-22-10-12-24(13-11-22)40-42-36(45)31-20-29-27(15-16-28-33(29)37(46)41(35(28)44)21-26-9-6-18-49-26)34(30-19-25(48-2)14-17-32(30)43)39(31,38(42)47)23-7-4-3-5-8-23/h3-15,17-19,28-29,31,33-34,40,43H,16,20-21H2,1-2H3
C39H35N3O6S673.7766999999992100
5083918

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H35N3O6S/c1-22-10-12-24(13-11-22)40-42-36(45)31-20-29-27(15-16-28-33(29)37(46)41(35(28)44)21-26-9-6-18-49-26)34(30-19-25(48-2)14-17-32(30)43)39(31,38(42)47)23-7-4-3-5-8-23/h3-15,17-19,28-29,31,33-34,40,43H,16,20-21H2,1-2H3/t28-,29+,31-,33-,34+,39+/m0/s1
C39H35N3O6S673.77672100

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