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: YBBWHDDKRCZQTE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17812032

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3
C20H23N3O3353.4149121200
2408566

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3/b21-20+
C20H23N3O3353.41494200
3268762

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3/p+1
C20H24N3O3354.42232100
5336652

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3/p+1/t15-/m1/s1
C20H24N3O3354.42232100
5336653

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3/p+1/t15-/m0/s1
C20H24N3O3354.42232100

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