[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C)C

InChI

InChI=1S/C21H24O5S/c1-13-10-15(3)19(11-14(13)2)20(22)16(4)26-21(23)18-8-6-17(7-9-18)12-27(5,24)25/h6-11,16H,12H2,1-5H3