[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

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