(4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxidanylidene-butyl)-dimethyl-sulfanium bromide

Systemtic Name: (4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxidanylidene-butyl)-dimethyl-sulfanium bromide Openeye Name: (4-ethoxy-3-ethoxycarbonyl-2-methylene-4-oxo-butyl)-dimethyl-sulfonium bromide CAS Name: (4-ethoxy-3-ethoxycarbonyl-2-methylene-4-oxobutyl)-dimethylsulfonium bromide IUPAC Name: (4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxobutyl)-dimethylsulfanium bromide Traditional Name: 2-(1-carbethoxy-2-ethoxy-2-keto-ethyl)allyl-dimethyl-sulfonium bromide Formula: C12H21BrO4S MolecularWeight: 341.26174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C)C[S+](C)C)C(=O)OCC.[Br-]

Isomeric SMILES

CCOC(=O)C(C(=C)C[S+](C)C)C(=O)OCC.[Br-]

InChI

InChI=1S/C12H21O4S.BrH/c1-6-15-11(13)10(12(14)16-7-2)9(3)8-17(4)5;/h10H,3,6-8H2,1-2,4-5H3;1H/q+1;/p-1