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: PRQMBGDYXWVEHE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
76784061

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17FN6O3/c1-25-14-5-10(4-13(17)21-14)20-16-11(15(19)24)7-23(22-16)12-8-26-3-2-9(12)6-18/h4-5,7,9,12H,2-3,8H2,1H3,(H2,19,24)(H,20,21,22)/t9-,12+/m1/s1
C16H17FN6O3360.3435500
127383433

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17FN6O3/c1-25-14-5-10(4-13(17)21-14)20-16-11(15(19)24)7-23(22-16)12-8-26-3-2-9(12)6-18/h4-5,7,9,12H,2-3,8H2,1H3,(H2,19,24)(H,20,21,22)/t9-,12-/m0/s1
C16H17FN6O3360.3431100

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