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: BJJQIIUYWZVYRT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
809703

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3
C20H27N3O325.4479151000
23719542

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3/t17-,18?,19?,20?
C20H27N3O325.44797600
23717955

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3/t17?,18?,19-,20+
C20H27N3O325.44795400
76832371

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3/t17-,18?,19-,20+
C20H27N3O325.44791100
2554368

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3/p+2
C20H29N3O327.46271100

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