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: TUGRAKNQRVNNEC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2266372

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H16FN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)
C21H16FN3O345.3696432191500
5704873

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16FN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/t21-/m0/s1
C21H16FN3O345.36962100
5704875

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16FN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/t21-/m1/s1
C21H16FN3O345.36962100
5704874

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16FN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/p+1/t21-/m1/s1
C21H17FN3O346.3771100
5704872

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16FN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/p+1/t21-/m0/s1
C21H17FN3O346.3771100

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