(2-chloranyl-4-cyano-6-methoxy-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (2-chloranyl-4-cyano-6-methoxy-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (2-chloro-4-cyano-6-methoxy-phenyl) 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (2-chloro-4-cyano-6-methoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-methoxyphenyl) 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-chloro-4-cyano-6-methoxy-phenyl) ester Formula: C16H10ClF2NO5S MolecularWeight: 401.769106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C16H10ClF2NO5S/c1-24-13-7-9(8-20)6-12(17)14(13)25-15(21)10-2-4-11(5-3-10)26(22,23)16(18)19/h2-7,16H,1H3