2-(2-cyclohexyl-2-phenyl-ethanoyl)sulfanylethyl-dimethyl-sulfanium iodide

Systemtic Name: 2-(2-cyclohexyl-2-phenyl-ethanoyl)sulfanylethyl-dimethyl-sulfanium iodide Openeye Name: 2-(2-cyclohexyl-2-phenyl-acetyl)sulfanylethyl-dimethyl-sulfonium iodide CAS Name: 2-[(2-cyclohexyl-1-oxo-2-phenylethyl)thio]ethyl-dimethylsulfonium iodide IUPAC Name: 2-(2-cyclohexyl-2-phenylacetyl)sulfanylethyl-dimethylsulfanium iodide Traditional Name: 2-[(2-cyclohexyl-2-phenyl-acetyl)thio]ethyl-dimethyl-sulfonium iodide Formula: C18H27IOS2 MolecularWeight: 450.44085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCSC(=O)C(C1CCCCC1)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[S+](C)CCSC(=O)C(C1CCCCC1)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H27OS2.HI/c1-21(2)14-13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1