[1-(4-chlorophenyl)-2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-chlorophenyl)-2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [1-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxo-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxo-3-phenylpropyl] ester IUPAC Name: [1-(4-chlorophenyl)-2-hydroxy-2-methyl-3-oxo-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(4-chlorophenyl)-2-hydroxy-3-keto-2-methyl-3-phenyl-propyl] ester Formula: C23H21ClO5S MolecularWeight: 444.92784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClO5S/c1-16-8-14-20(15-9-16)30(27,28)29-22(18-10-12-19(24)13-11-18)23(2,26)21(25)17-6-4-3-5-7-17/h3-15,22,26H,1-2H3