(3-chloranyl-4-fluoranyl-phenyl) 2-cyanobenzenesulfonate

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl) 2-cyanobenzenesulfonate Openeye Name: (3-chloro-4-fluoro-phenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (3-chloro-4-fluorophenyl) ester IUPAC Name: (3-chloro-4-fluorophenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (3-chloro-4-fluoro-phenyl) ester Formula: C13H7ClFNO3S MolecularWeight: 311.715983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)S(=O)(=O)OC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)S(=O)(=O)OC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H7ClFNO3S/c14-11-7-10(5-6-12(11)15)19-20(17,18)13-4-2-1-3-9(13)8-16/h1-7H