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 4 results

Search term: BLKAFDNEYZHCCO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21265212

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2
C20H19N3O3349.3832141300
3469836

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/b21-19-
C20H19N3O3349.383163200
5879009

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/p+1/t17-/m1/s1
C20H20N3O3350.39062100
5879010

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/p+1/t17-/m0/s1
C20H20N3O3350.39062100

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