[6-chloranyl-2-oxidanylidene-3-propanoyl-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate

Systemtic Name: [6-chloranyl-2-oxidanylidene-3-propanoyl-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Openeye Name: [6-chloro-2-oxo-3-propanoyl-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate CAS Name: sulfuric acid [6-chloro-2-oxo-3-(1-oxopropyl)-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester IUPAC Name: [6-chloro-2-oxo-3-propanoyl-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Traditional Name: sulfuric acid [6-chloro-2-keto-3-propionyl-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester Formula: C14H11ClF3NO6S MolecularWeight: 413.75345

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=CC(=CC(=C2NC1=O)C(F)(F)F)Cl)OS(=O)(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C2=CC(=CC(=C2NC1=O)C(F)(F)F)Cl)OS(=O)(=O)OC

InChI

InChI=1S/C14H11ClF3NO6S/c1-3-9(20)10-12(25-26(22,23)24-2)7-4-6(15)5-8(14(16,17)18)11(7)19-13(10)21/h4-5H,3H2,1-2H3,(H,19,21)