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

Systemtic Name: dibutyl-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dibutyl-(3,3-dimethyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dibutyl-(3,3-dimethyl-2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: dibutyl-(2-keto-3,3-dimethyl-butyl)sulfonium tosylate Formula: C21H36O4S2 MolecularWeight: 416.63814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29OS.C7H8O3S/c1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h6-12H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1