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

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinolin-3-yl] methanesulfonate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-keto-7-(trifluoromethyl)-1H-quinolin-3-yl] ester Formula: C11H8F3NO4S MolecularWeight: 307.24573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3NO4S/c1-20(17,18)19-9-5-15-8-4-6(11(12,13)14)2-3-7(8)10(9)16/h2-5H,1H3,(H,15,16)