[3-(trifluoromethyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C17H15F3O4S MolecularWeight: 372.35881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3O4S/c1-11-6-7-14(25(2,22)23)9-15(11)16(21)24-10-12-4-3-5-13(8-12)17(18,19)20/h3-9H,10H2,1-2H3