magnesium (Z)-4-acetyloxy-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoate chloride

Systemtic Name: magnesium (Z)-4-acetyloxy-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoate chloride Openeye Name: magnesium (Z)-4-acetoxy-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoate chloride CAS Name: magnesium (Z)-4-acetyloxy-3-[4-(methylthio)phenyl]-2-phenyl-2-butenoate chloride IUPAC Name: magnesium (Z)-4-acetyloxy-3-(4-methylsulfanylphenyl)-2-phenylbut-2-enoate chloride Traditional Name: magnesium (Z)-4-acetoxy-3-[4-(methylthio)phenyl]-2-phenyl-but-2-enoate chloride Formula: C19H17ClMgO4S MolecularWeight: 401.15888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=C(C1=CC=CC=C1)C(=O)[O-])C2=CC=C(C=C2)SC.[Mg+2].[Cl-]

Isomeric SMILES

CC(=O)OC/C(=C(/C1=CC=CC=C1)\C(=O)[O-])/C2=CC=C(C=C2)SC.[Mg+2].[Cl-]

InChI

InChI=1S/C19H18O4S.ClH.Mg/c1-13(20)23-12-17(14-8-10-16(24-2)11-9-14)18(19(21)22)15-6-4-3-5-7-15;;/h3-11H,12H2,1-2H3,(H,21,22);1H;/q;;+2/p-2/b18-17+;;