[3-(4-chlorophenyl)-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-chlorophenyl)-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxopropyl] ester IUPAC Name: [3-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-chlorophenyl)-2-hydroxy-3-keto-2-methyl-propyl] ester Formula: C17H17ClO5S MolecularWeight: 368.83188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO5S/c1-12-3-9-15(10-4-12)24(21,22)23-11-17(2,20)16(19)13-5-7-14(18)8-6-13/h3-10,20H,11H2,1-2H3