4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonic acid

Systemtic Name: 4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonic acid Openeye Name: 4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonic acid CAS Name: 4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonic acid IUPAC Name: 4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonic acid Traditional Name: 4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]besylic acid Formula: C17H12F3NO4S MolecularWeight: 383.34169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C17H12F3NO4S/c18-17(19,20)14-9-16(22)21-15-6-3-11(8-13(14)15)7-10-1-4-12(5-2-10)26(23,24)25/h1-6,8-9H,7H2,(H,21,22)(H,23,24,25)