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 7 results

Search term: SWHHMTKXNOSPLE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
491393

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3
C21H36O3336.50875500
4954438

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12?,13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
C21H36O3336.50872210
107449028

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18+,19-,20+,21+/m0/s1
C21H36O3336.50871400
107449030

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21-/m1/s1
C21H36O3336.50871400
128918949

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
C21H36O3336.50871200
128919487

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19-,20+,21+/m0/s1
C21H36O3336.50871200
128919577

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12?,13-,14-,15+,16-,17-,18-,19-,20+,21+/m0/s1
C21H36O3336.50871200

Advertisement