(3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: triphenyl(phthalidyl)phosphonium bromide Formula: C26H20BrO2P MolecularWeight: 475.313561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2C3=CC=CC=C3C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2C3=CC=CC=C3C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H20O2P.BrH/c27-25-23-18-10-11-19-24(23)26(28-25)29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19,26H;1H/q+1;/p-1