2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-dimethyl-sulfanium iodide

Systemtic Name: 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-dimethyl-sulfanium iodide Openeye Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-dimethyl-sulfonium iodide CAS Name: 2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-dimethylsulfonium iodide IUPAC Name: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-dimethylsulfanium iodide Traditional Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-dimethyl-sulfonium iodide Formula: C18H27IO3S MolecularWeight: 450.37465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27O3S.HI/c1-22(2)14-13-21-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16,20H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1