[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H24O5S/c1-5-15-8-9-16(6-2)19(11-15)20(22)13-26-21(23)18-12-17(27(4,24)25)10-7-14(18)3/h7-12H,5-6,13H2,1-4H3