(2-cyclohexyl-2-oxidanylidene-ethyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (2-cyclohexyl-2-oxo-ethyl)-diisopropyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (2-cyclohexyl-2-oxoethyl)-di(propan-2-yl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: (2-cyclohexyl-2-oxoethyl)-di(propan-2-yl)sulfanium; 4-methylbenzenesulfonate Traditional Name: (2-cyclohexyl-2-keto-ethyl)-diisopropyl-sulfonium tosylate Formula: C21H34O4S2 MolecularWeight: 414.62226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27OS.C7H8O3S/c1-11(2)16(12(3)4)10-14(15)13-8-6-5-7-9-13;1-6-2-4-7(5-3-6)11(8,9)10/h11-13H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1