[2-(4-chlorophenyl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl] 4-methylbenzenesulfonate Openeye Name: [1-(benzenesulfonyl)-2-(4-chlorophenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(benzenesulfonyl)-2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [1-(benzenesulfonyl)-2-(4-chlorophenyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-besyl-2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H17ClO6S2 MolecularWeight: 464.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClO6S2/c1-15-7-13-19(14-8-15)30(26,27)28-21(20(23)16-9-11-17(22)12-10-16)29(24,25)18-5-3-2-4-6-18/h2-14,21H,1H3