magnesium; benzene; 3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; bromide

Systemtic Name: magnesium; benzene; 3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; bromide Openeye Name: magnesium; benzene; 3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; bromide CAS Name: magnesium; benzene; 3-(4-methoxyphenyl)-2-phenyl-2-propenenitrile; bromide IUPAC Name: magnesium; benzene; 3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile; bromide Traditional Name: magnesium; benzene; 3-(4-methoxyphenyl)-2-phenyl-acrylonitrile; bromide Formula: C22H18BrMgNO MolecularWeight: 416.59342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2.C1=CC=[C-]C=C1.[Mg+2].[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2.C1=CC=[C-]C=C1.[Mg+2].[Br-]

InChI

InChI=1S/C16H13NO.C6H5.BrH.Mg/c1-18-16-9-7-13(8-10-16)11-15(12-17)14-5-3-2-4-6-14;1-2-4-6-5-3-1;;/h2-11H,1H3;1-5H;1H;/q;-1;;+2/p-1