(2-chloranyl-6-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H14ClFO4S MolecularWeight: 356.796363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H14ClFO4S/c1-10-6-7-11(23(2,20)21)8-12(10)16(19)22-9-13-14(17)4-3-5-15(13)18/h3-8H,9H2,1-2H3