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 2 results

Search term: JSTRQEVJCFDTEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
79715301

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO5/c1-5-6-15(12-22)9-16(8-7-13(2)23)17-10-18(21-14(3)24)20(26-4)11-19(17)25/h5-11,13,16,22-23,25H,12H2,1-4H3,(H,21,24)/b6-5-,8-7+,15-9-/t13-,16-/m1/s1
C20H27NO5361.43212200
79715302

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO5/c1-5-6-15(12-22)9-16(8-7-13(2)23)17-10-18(21-14(3)24)20(26-4)11-19(17)25/h5-11,13,16,22-23,25H,12H2,1-4H3,(H,21,24)/b6-5-,8-7+,15-9-/t13-,16+/m1/s1
C20H27NO5361.43212200

Advertisement