dimethyl-[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [2-(3-hydroxy-1,1-dimethyl-3-oxo-propyl)phenyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [2-(4-hydroxy-2-methyl-4-oxobutan-2-yl)phenyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [2-(4-hydroxy-2-methyl-4-oxobutan-2-yl)phenyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [2-(3-hydroxy-3-keto-1,1-dimethyl-propyl)phenyl]-dimethyl-sulfonium tosylate Formula: C20H26O5S2 MolecularWeight: 410.54744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S.C7H8O3S/c1-13(2,9-12(14)15)10-7-5-6-8-11(10)16(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,9H2,1-4H3;2-5H,1H3,(H,8,9,10)