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

Systemtic Name: [6-chloranyl-3-(2-methylpropanoyl)-2-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Openeye Name: [6-chloro-3-(2-methylpropanoyl)-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate CAS Name: sulfuric acid [6-chloro-3-(2-methyl-1-oxopropyl)-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester IUPAC Name: [6-chloro-3-(2-methylpropanoyl)-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Traditional Name: sulfuric acid [6-chloro-3-isobutyryl-2-keto-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester Formula: C15H13ClF3NO6S MolecularWeight: 427.78003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClF3NO6S/c1-6(2)12(21)10-13(26-27(23,24)25-3)8-4-7(16)5-9(15(17,18)19)11(8)20-14(10)22/h4-6H,1-3H3,(H,20,22)