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

Systemtic Name: cyclohexyl-methyl-(2-oxidanylideneheptyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(2-oxoheptyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxoheptyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxoheptyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-ketoheptyl)-methyl-sulfonium tosylate Formula: C21H34O4S2 MolecularWeight: 414.62226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27OS.C7H8O3S/c1-3-4-6-9-13(15)12-16(2)14-10-7-5-8-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1