dimethyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-oxo-1-phenyl-ethyl)-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (2-hydroxy-2-oxo-1-phenylethyl)-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (2-hydroxy-2-oxo-1-phenylethyl)-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: (2-hydroxy-2-keto-1-phenyl-ethyl)-dimethyl-sulfonium tosylate Formula: C17H20O5S2 MolecularWeight: 368.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)C(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)C(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C10H12O2S.C7H8O3S/c1-13(2)9(10(11)12)8-6-4-3-5-7-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9H,1-2H3;2-5H,1H3,(H,8,9,10)