(5-cyano-7-methoxy-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (5-cyano-7-methoxy-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (5-cyano-7-methoxy-benzofuran-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (5-cyano-7-methoxy-2-benzofuranyl)methyl-triphenylphosphonium chloride IUPAC Name: (5-cyano-7-methoxy-1-benzofuran-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (5-cyano-7-methoxy-benzofuran-2-yl)methyl-triphenyl-phosphonium chloride Formula: C29H23ClNO2P MolecularWeight: 483.925181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#N.[Cl-]

Isomeric SMILES

COC1=CC(=CC2=C1OC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#N.[Cl-]

InChI

InChI=1S/C29H23NO2P.ClH/c1-31-28-18-22(20-30)17-23-19-24(32-29(23)28)21-33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-19H,21H2,1H3;1H/q+1;/p-1