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

Systemtic Name: cyclohexyl-methyl-(2-oxidanylidenepentyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxopentyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-ketopentyl)-methyl-sulfonium tosylate Formula: C19H30O4S2 MolecularWeight: 386.5691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23OS.C7H8O3S/c1-3-7-11(13)10-14(2)12-8-5-4-6-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h12H,3-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1