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: GJOFFFPLJMPGBK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2169252

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)
C21H16BrN3O406.27524251700
1028388

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/t19-/m0/s1
C21H16BrN3O406.27522100
1028389

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/t19-/m1/s1
C21H16BrN3O406.27522100
5818659

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/p+1/t19-/m0/s1
C21H17BrN3O407.28261100
5818661

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/p+1/t19-/m1/s1
C21H17BrN3O407.28261100

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