[4-oxidanylidene-7-(trifluoromethyl)-1H-quinolin-3-yl] ethanesulfonate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinolin-3-yl] ethanesulfonate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] ethanesulfonate CAS Name: ethanesulfonic acid [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-keto-7-(trifluoromethyl)-1H-quinolin-3-yl] ester Formula: C12H10F3NO4S MolecularWeight: 321.27231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3NO4S/c1-2-21(18,19)20-10-6-16-9-5-7(12(13,14)15)3-4-8(9)11(10)17/h3-6H,2H2,1H3,(H,16,17)