dibutyl(2-oxidanylidenepentyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dibutyl(2-oxidanylidenepentyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dibutyl(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dibutyl(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dibutyl(2-oxopentyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: dibutyl(2-ketopentyl)sulfonium tosylate Formula: C20H34O4S2 MolecularWeight: 402.61156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27OS.C7H8O3S/c1-4-7-10-15(11-8-5-2)12-13(14)9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1