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

Systemtic Name: cyclohexyl-methyl-(2-oxidanylidenehexyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(2-oxohexyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxohexyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxohexyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-ketohexyl)-methyl-sulfonium tosylate Formula: C20H32O4S2 MolecularWeight: 400.59568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25OS.C7H8O3S/c1-3-4-8-12(14)11-15(2)13-9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h13H,3-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1