[3-ethanoyl-4-methyl-2-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-5-yl] hydrogen sulfate

Systemtic Name: [3-ethanoyl-4-methyl-2-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-5-yl] hydrogen sulfate Openeye Name: [3-acetyl-4-methyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-5-yl] hydrogen sulfate CAS Name: sulfuric acid [3-acetyl-4-methyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-5-yl] ester IUPAC Name: [3-acetyl-4-methyl-2-oxo-8-(trifluoromethyl)-1H-quinolin-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [3-acetyl-2-keto-4-methyl-8-(trifluoromethyl)-1H-quinolin-5-yl] ester Formula: C13H10F3NO6S MolecularWeight: 365.28181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC2=C(C=CC(=C12)OS(=O)(=O)O)C(F)(F)F)C(=O)C

Isomeric SMILES

CC1=C(C(=O)NC2=C(C=CC(=C12)OS(=O)(=O)O)C(F)(F)F)C(=O)C

InChI

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