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

Systemtic Name: [3-ethanoyl-2-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Openeye Name: [3-acetyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate CAS Name: sulfuric acid [3-acetyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester IUPAC Name: [3-acetyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl sulfate Traditional Name: sulfuric acid [3-acetyl-2-keto-8-(trifluoromethyl)-1H-quinolin-4-yl] methyl ester Formula: C13H10F3NO6S MolecularWeight: 365.28181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)NC1=O)OS(=O)(=O)OC

Isomeric SMILES

CC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)NC1=O)OS(=O)(=O)OC

InChI

InChI=1S/C13H10F3NO6S/c1-6(18)9-11(23-24(20,21)22-2)7-4-3-5-8(13(14,15)16)10(7)17-12(9)19/h3-5H,1-2H3,(H,17,19)