dimethyl(2-oxidanylidenebutyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl(2-oxidanylidenebutyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl(2-oxobutyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl(2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl(2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: 2-ketobutyl(dimethyl)sulfonium tosylate Formula: C13H20O4S2 MolecularWeight: 304.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H13OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-6(7)5-8(2)3/h2-5H,1H3,(H,8,9,10);4-5H2,1-3H3/q;+1/p-1