magnesium [(Z)-3-methyl-4-sulfinato-but-2-enyl] benzoate bromide

Systemtic Name: magnesium [(Z)-3-methyl-4-sulfinato-but-2-enyl] benzoate bromide Openeye Name: magnesium [(Z)-3-methyl-4-sulfinato-but-2-enyl] benzoate bromide CAS Name: magnesium benzoic acid [(Z)-3-methyl-4-sulfinatobut-2-enyl] ester bromide IUPAC Name: magnesium [(Z)-3-methyl-4-sulfinatobut-2-enyl] benzoate bromide Traditional Name: magnesium benzoic acid [(Z)-3-methyl-4-sulfinato-but-2-enyl] ester bromide Formula: C12H13BrMgO4S MolecularWeight: 357.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=CC=CC=C1)C[S-](=O)=O.[Mg+2].[Br-]

Isomeric SMILES

C/C(=C/COC(=O)C1=CC=CC=C1)/C[S-](=O)=O.[Mg+2].[Br-]

InChI

InChI=1S/C12H13O4S.BrH.Mg/c1-10(9-17(14)15)7-8-16-12(13)11-5-3-2-4-6-11;;/h2-7H,8-9H2,1H3;1H;/q-1;;+2/p-1/b10-7-;;