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: WQQBUTMELIQJNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2338831

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H12N2O16S2/c15-5-1-3(31(23,24)25)9(19)13(5)29-11(21)7(17)8(18)12(22)30-14-6(16)2-4(10(14)20)32(26,27)28/h3-4,7-8,17-18H,1-2H2,(H,23,24,25)(H,26,27,28)
C12H12N2O16S2504.35748131000
107433270

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H12N2O16S2/c15-5-1-3(31(23,24)25)9(19)13(5)29-11(21)7(17)8(18)12(22)30-14-6(16)2-4(10(14)20)32(26,27)28/h3-4,7-8,17-18H,1-2H2,(H,23,24,25)(H,26,27,28)/t3?,4?,7-,8-/m1/s1
C12H12N2O16S2504.35752200

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