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: LCSBNAMHSCHNAR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7878237

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15+
C21H29NO2327.46053400
7842617

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15-/t16-,17+,18+,19-,20-,21?/m0/s1
C21H29NO2327.46052200
21251779

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15-/t16-,17+,18+,19-,20-,21-/m0/s1
C21H29NO2327.46051100
58817734

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15-/t16-,17+,18+,19-,20?,21?/m0/s1
C21H29NO2327.46051100

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