[1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[4-(methylthio)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylsulfanylphenyl)-1-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-methyl-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H18O4S2/c1-12-4-10-16(11-5-12)23(19,20)21-13(2)17(18)14-6-8-15(22-3)9-7-14/h4-11,13H,1-3H3