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

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(trifluoromethyl)benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(trifluoromethyl)benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(trifluoromethyl)benzoate Traditional Name: 5-mesyl-2-methyl-4-(trifluoromethyl)benzoic acid methyl ester Formula: C11H11F3O4S MolecularWeight: 296.26285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C11H11F3O4S/c1-6-4-8(11(12,13)14)9(19(3,16)17)5-7(6)10(15)18-2/h4-5H,1-3H3