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

Systemtic Name: cyclohexyl-methyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(3-methyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(3-methyl-2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(3-methyl-2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-keto-3-methyl-butyl)-methyl-sulfonium tosylate Formula: C19H30O4S2 MolecularWeight: 386.5691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23OS.C7H8O3S/c1-10(2)12(13)9-14(3)11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h10-11H,4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1