methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 5-methylsulfonyl-4-(p-tolyl)-2-(trifluoromethyl)benzoate CAS Name: 4-(4-methylphenyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Traditional Name: 5-mesyl-4-(p-tolyl)-2-(trifluoromethyl)benzoic acid methyl ester Formula: C17H15F3O4S MolecularWeight: 372.35881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H15F3O4S/c1-10-4-6-11(7-5-10)12-8-14(17(18,19)20)13(16(21)24-2)9-15(12)25(3,22)23/h4-9H,1-3H3