(2-ethoxy-2-oxidanylidene-ethyl)-heptyl-methyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-heptyl-methyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (2-ethoxy-2-oxo-ethyl)-heptyl-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (2-ethoxy-2-oxoethyl)-heptyl-methylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (2-ethoxy-2-oxoethyl)-heptyl-methylsulfanium; 4-methylbenzenesulfonate Traditional Name: (2-ethoxy-2-keto-ethyl)-heptyl-methyl-sulfonium tosylate Formula: C19H32O5S2 MolecularWeight: 404.58438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25O2S.C7H8O3S/c1-4-6-7-8-9-10-15(3)11-12(13)14-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1