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: YPGBCMDDRBJGMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9678120

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(10-14)11-15-3-2-6-26-15/h4-5,7-10,12,15,26H,2-3,6,11H2,1H3,(H2,25,27)/t12?,15-/m1/s1
C21H22Cl2FN5O450.33672100
9743389

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(10-14)11-15-3-2-6-26-15/h4-5,7-10,12,15,26H,2-3,6,11H2,1H3,(H2,25,27)/t12?,15-/m0/s1
C21H22Cl2FN5O450.33672100

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