[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H22O5S/c1-3-4-5-15-6-8-16(9-7-15)19(21)14-25-20(22)17-10-12-18(13-11-17)26(2,23)24/h6-13H,3-5,14H2,1-2H3