dimethyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-(3-methyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl-(3-methyl-2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-(3-methyl-2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: (2-keto-3-methyl-butyl)-dimethyl-sulfonium tosylate Formula: C14H22O4S2 MolecularWeight: 318.45208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C7H15OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2)7(8)5-9(3)4/h2-5H,1H3,(H,8,9,10);6H,5H2,1-4H3/q;+1/p-1