[3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-(4-methylsulfanylphenyl)-3-oxo-3-(p-tolyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(4-methylphenyl)-2-[4-(methylthio)phenyl]-3-oxopropyl] ester IUPAC Name: [2-hydroxy-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-keto-2-[4-(methylthio)phenyl]-3-(p-tolyl)propyl] ester Formula: C24H24O5S2 MolecularWeight: 456.57436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(COS(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(COS(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C24H24O5S2/c1-17-4-8-19(9-5-17)23(25)24(26,20-10-12-21(30-3)13-11-20)16-29-31(27,28)22-14-6-18(2)7-15-22/h4-15,26H,16H2,1-3H3