(5-bromanyl-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (5-bromobenzofuran-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (5-bromo-2-benzofuranyl)methyl-triphenylphosphonium chloride IUPAC Name: (5-bromo-1-benzofuran-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (5-bromobenzofuran-2-yl)methyl-triphenyl-phosphonium chloride Formula: C27H21BrClOP MolecularWeight: 507.785801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC3=C(O2)C=CC(=C3)Br)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC3=C(O2)C=CC(=C3)Br)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H21BrOP.ClH/c28-22-16-17-27-21(18-22)19-23(29-27)20-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,20H2;1H/q+1;/p-1