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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H13ClO4S/c1-11-6-8-12(9-7-11)21(18,19)20-10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3