(5-chloranylquinolin-8-yl) 2-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 2-(trifluoromethyloxy)benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 2-(trifluoromethoxy)benzenesulfonate CAS Name: 2-(trifluoromethoxy)benzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2-(trifluoromethoxy)benzenesulfonate Traditional Name: 2-(trifluoromethoxy)benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C16H9ClF3NO4S MolecularWeight: 403.76017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C16H9ClF3NO4S/c17-11-7-8-13(15-10(11)4-3-9-21-15)25-26(22,23)14-6-2-1-5-12(14)24-16(18,19)20/h1-9H