(1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylsulfanylbenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylsulfanylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-methylsulfanylbenzenesulfonate CAS Name: 4-(methylthio)benzenesulfonic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-methylsulfanylbenzenesulfonate Traditional Name: 4-(methylthio)benzenesulfonic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C16H16O4S2 MolecularWeight: 336.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H16O4S2/c1-12(16(17)13-6-4-3-5-7-13)20-22(18,19)15-10-8-14(21-2)9-11-15/h3-12H,1-2H3