cyclohexyl-methyl-(2-oxidanylidenecyclohexyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: cyclohexyl-methyl-(2-oxidanylidenecyclohexyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(2-oxocyclohexyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxocyclohexyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-ketocyclohexyl)-methyl-sulfonium tosylate Formula: C20H30O4S2 MolecularWeight: 398.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C1CCCCC1)C2CCCCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C1CCCCC1)C2CCCCC2=O

InChI

InChI=1S/C13H23OS.C7H8O3S/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h11,13H,2-10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1