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 6 results

Search term: BTOXJXMUJGCFPB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2512297

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)
C21H19N3313.395720900
608917

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)/t21-/m1/s1
C21H19N3313.39572100
608925

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)/t21-/m0/s1
C21H19N3313.39572100
3525855

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)/p+1
C21H20N3314.40361100
5297827

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)/p+1/t21-/m1/s1
C21H20N3314.40361100
5297828

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H19N3/c1-15-20(17-11-5-6-12-18(17)23-15)21(16-9-3-2-4-10-16)24-19-13-7-8-14-22-19/h2-14,21,23H,1H3,(H,22,24)/p+1/t21-/m0/s1
C21H20N3314.40361100

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