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 5 results

Search term: QQCALNKNJVMBKN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4388091

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3
C16H23N5O301.38672191400
5918863

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3/t16-/m0/s1
C16H23N5O301.38672100
5918868

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3/t16-/m1/s1
C16H23N5O301.38672100
5918867

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3/p+1/t16-/m1/s1
C16H24N5O302.39411100
5918862

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3/p+1/t16-/m0/s1
C16H24N5O302.39411100

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