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

Systemtic Name: cyclohexyl-(3,3-dimethyl-2-oxidanylidene-butyl)-methyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-(3,3-dimethyl-2-oxo-butyl)-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-(3,3-dimethyl-2-oxobutyl)-methylsulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-(3,3-dimethyl-2-oxobutyl)-methylsulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-keto-3,3-dimethyl-butyl)-methyl-sulfonium tosylate Formula: C20H32O4S2 MolecularWeight: 400.59568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)C[S+](C)C1CCCCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)C[S+](C)C1CCCCC1

InChI

InChI=1S/C13H25OS.C7H8O3S/c1-13(2,3)12(14)10-15(4)11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h11H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1