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

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C)C

InChI

InChI=1S/C20H22O5S/c1-12-10-14(3)17(11-13(12)2)19(21)15(4)25-20(22)16-8-6-7-9-18(16)26(5,23)24/h6-11,15H,1-5H3