(3,3-dimethyl-2-oxidanylidene-butyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (3,3-dimethyl-2-oxo-butyl)-diisopropyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (3,3-dimethyl-2-oxobutyl)-di(propan-2-yl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: (3,3-dimethyl-2-oxobutyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate Traditional Name: diisopropyl-(2-keto-3,3-dimethyl-butyl)sulfonium tosylate Formula: C19H32O4S2 MolecularWeight: 388.58498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25OS.C7H8O3S/c1-9(2)14(10(3)4)8-11(13)12(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h9-10H,8H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1