(4-ethanoyl-2-methoxy-phenyl) 4-chloranyl-2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 4-chloranyl-2-(trifluoromethyl)benzenesulfonate Openeye Name: (4-acetyl-2-methoxy-phenyl) 4-chloro-2-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-2-(trifluoromethyl)benzenesulfonic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 4-chloro-2-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-2-(trifluoromethyl)benzenesulfonic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C16H12ClF3O5S MolecularWeight: 408.77669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F)OC

InChI

InChI=1S/C16H12ClF3O5S/c1-9(21)10-3-5-13(14(7-10)24-2)25-26(22,23)15-6-4-11(17)8-12(15)16(18,19)20/h3-8H,1-2H3