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: CXPJRGSCHRQIPF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7036323

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H34N2O3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(24)13-23-5-3-18(4-6-23)20(25)26-2/h14-18H,3-13H2,1-2H3,(H,22,24)/t14-,15?,16?,17?,21?/m0/s1
C21H34N2O3362.50632100
7036325

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H34N2O3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(24)13-23-5-3-18(4-6-23)20(25)26-2/h14-18H,3-13H2,1-2H3,(H,22,24)/t14-,15?,16?,17?,21?/m1/s1
C21H34N2O3362.50632100
128859730

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H34N2O3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(24)13-23-5-3-18(4-6-23)20(25)26-2/h14-18H,3-13H2,1-2H3,(H,22,24)
C21H34N2O3362.50631100
7036324

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H34N2O3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(24)13-23-5-3-18(4-6-23)20(25)26-2/h14-18H,3-13H2,1-2H3,(H,22,24)/p+1/t14-,15?,16?,17?,21?/m1/s1
C21H35N2O3363.51371100
7036322

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H34N2O3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(24)13-23-5-3-18(4-6-23)20(25)26-2/h14-18H,3-13H2,1-2H3,(H,22,24)/p+1/t14-,15?,16?,17?,21?/m0/s1
C21H35N2O3363.51371100

Advertisement