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

Systemtic Name: cyclohexyl-methyl-(2-oxidanylidenepropyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: acetonyl-cyclohexyl-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(2-oxopropyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxopropyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: acetonyl-cyclohexyl-methyl-sulfonium tosylate Formula: C17H26O4S2 MolecularWeight: 358.51594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19OS.C7H8O3S/c1-9(11)8-12(2)10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h10H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1