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 3 results

Search term: KJTQPCGSLXNLDD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11969700

Double-bond stereo
InChI=1/C21H23N5O2/c1-2-11-23-20(27)15-13-16-19(24-17-10-6-7-12-25(17)21(16)28)26(18(15)22)14-8-4-3-5-9-14/h2,6-7,10,12-14,22H,1,3-5,8-9,11H2,(H,23,27)
C21H23N5O2377.4396201700
2201245

Double-bond stereo
InChI=1/C21H23N5O2/c1-2-11-23-20(27)15-13-16-19(24-17-10-6-7-12-25(17)21(16)28)26(18(15)22)14-8-4-3-5-9-14/h2,6-7,10,12-14,22H,1,3-5,8-9,11H2,(H,23,27)/b22-18+
C21H23N5O2377.439625300
1549636

Charge
InChI=1/C21H23N5O2/c1-2-11-23-20(27)15-13-16-19(24-17-10-6-7-12-25(17)21(16)28)26(18(15)22)14-8-4-3-5-9-14/h2,6-7,10,12-14,22H,1,3-5,8-9,11H2,(H,23,27)/p+1
C21H24N5O2378.4472100

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