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

Systemtic Name: dibutyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dibutyl-(3-methyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dibutyl-(3-methyl-2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dibutyl-(3-methyl-2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: dibutyl-(2-keto-3-methyl-butyl)sulfonium tosylate Formula: C20H34O4S2 MolecularWeight: 402.61156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27OS.C7H8O3S/c1-5-7-9-15(10-8-6-2)11-13(14)12(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h12H,5-11H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1