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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium chloride Openeye Name: (3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium chloride CAS Name: (3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium chloride IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium chloride Traditional Name: triphenyl(phthalidyl)phosphonium chloride Formula: C26H20ClO2P MolecularWeight: 430.862561

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C26H20O2P.ClH/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