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

Systemtic Name: cyclohexyl-methyl-(2-oxidanylidenebutyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(2-oxobutyl)sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(2-ketobutyl)-methyl-sulfonium tosylate Formula: C18H28O4S2 MolecularWeight: 372.54252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21OS.C7H8O3S/c1-3-10(12)9-13(2)11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h11H,3-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1