(7-methoxy-1-benzofuran-5-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (7-methoxy-1-benzofuran-5-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (7-methoxybenzofuran-5-yl)methyl-triphenyl-phosphonium bromide CAS Name: (7-methoxy-5-benzofuranyl)methyl-triphenylphosphonium bromide IUPAC Name: (7-methoxy-1-benzofuran-5-yl)methyl-triphenylphosphanium bromide Traditional Name: (7-methoxybenzofuran-5-yl)methyl-triphenyl-phosphonium bromide Formula: C28H24BrO2P MolecularWeight: 503.366721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CO2.[Br-]

Isomeric SMILES

COC1=C2C(=CC(=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CO2.[Br-]

InChI

InChI=1S/C28H24O2P.BrH/c1-29-27-20-22(19-23-17-18-30-28(23)27)21-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1