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: QCMVAPXCVDFKBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
44210252

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H24N6O2S/c1-12-11-28-8-7-26(12)18-10-16(15-9-17(15)29(2,21)27)24-20(25-18)14-4-6-23-19-13(14)3-5-22-19/h3-6,10,12,15,17,21H,7-9,11H2,1-2H3,(H,22,23)/t12-,15?,17-,29-/m1/s1
C20H24N6O2S412.508612900
76827147

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H24N6O2S/c1-12-11-28-8-7-26(12)18-10-16(15-9-17(15)29(2,21)27)24-20(25-18)14-4-6-23-19-13(14)3-5-22-19/h3-6,10,12,15,17,21H,7-9,11H2,1-2H3,(H,22,23)/t12-,15?,17-,29?/m1/s1
C20H24N6O2S412.50865500

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