cyclohexylmethyl(2-oxidanylideneoctyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: cyclohexylmethyl(2-oxidanylideneoctyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexylmethyl(2-oxooctyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexylmethyl(2-oxooctyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexylmethyl(2-oxooctyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexylmethyl(2-ketooctyl)sulfonium tosylate Formula: C22H36O4S2 MolecularWeight: 428.64884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C[SH+]CC1CCCCC1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(=O)C[SH+]CC1CCCCC1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H28OS.C7H8O3S/c1-2-3-4-8-11-15(16)13-17-12-14-9-6-5-7-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-13H2,1H3;2-5H,1H3,(H,8,9,10)