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: KCPRPKFASBASSR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2166352

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3
C20H29NO299.45036171100
1291321

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3/t20-/m1/s1
C20H29NO299.45042100
1291323

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3/t20-/m0/s1
C20H29NO299.45042100
1291320

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3/p+1/t20-/m1/s1
C20H30NO300.45781100
1291322

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3/p+1/t20-/m0/s1
C20H30NO300.45781100
3139030

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29NO/c1-4-21(5-2)17-11-16-20(22-3,19-14-9-10-15-19)18-12-7-6-8-13-18/h6-8,12-13,19H,4-5,9-10,14-15,17H2,1-3H3/p+1
C20H30NO300.45781100

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