2-(2-cyclohex-2-en-1-yl-2-phenyl-ethanoyl)oxyethyl-dimethyl-sulfanium bromide

Systemtic Name: 2-(2-cyclohex-2-en-1-yl-2-phenyl-ethanoyl)oxyethyl-dimethyl-sulfanium bromide Openeye Name: 2-(2-cyclohex-2-en-1-yl-2-phenyl-acetyl)oxyethyl-dimethyl-sulfonium bromide CAS Name: 2-[2-(1-cyclohex-2-enyl)-1-oxo-2-phenylethoxy]ethyl-dimethylsulfonium bromide IUPAC Name: 2-(2-cyclohex-2-en-1-yl-2-phenylacetyl)oxyethyl-dimethylsulfanium bromide Traditional Name: 2-(2-cyclohex-2-en-1-yl-2-phenyl-acetyl)oxyethyl-dimethyl-sulfonium bromide Formula: C18H25BrO2S MolecularWeight: 385.3589

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCOC(=O)C(C1CCCC=C1)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[S+](C)CCOC(=O)C(C1CCCC=C1)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H25O2S.BrH/c1-21(2)14-13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-7,9-11,16-17H,4,8,12-14H2,1-2H3;1H/q+1;/p-1