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

Systemtic Name: [6-chloranyl-3-ethanoyl-2-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Openeye Name: [3-acetyl-6-chloro-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate CAS Name: sulfuric acid [3-acetyl-6-chloro-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester IUPAC Name: [3-acetyl-6-chloro-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Traditional Name: sulfuric acid [3-acetyl-6-chloro-2-keto-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester Formula: C13H9ClF3NO6S MolecularWeight: 399.72687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClF3NO6S/c1-5(19)9-11(24-25(21,22)23-2)7-3-6(14)4-8(13(15,16)17)10(7)18-12(9)20/h3-4H,1-2H3,(H,18,20)