[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(4-sec-butylphenyl)ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(4-butan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylphenyl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-keto-2-(4-sec-butylphenyl)ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H24O5S/c1-4-15(2)17-9-11-18(12-10-17)20(22)13-26-21(23)19-7-5-16(6-8-19)14-27(3,24)25/h5-12,15H,4,13-14H2,1-3H3