(5,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (5,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (5,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (5,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: (3-keto-5,7-dimethoxy-phthalan-1-yl)-triphenyl-phosphonium bromide Formula: C28H24BrO4P MolecularWeight: 535.365521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(OC(=O)C2=C1)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC.[Br-]

Isomeric SMILES

COC1=CC(=C2C(OC(=O)C2=C1)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC.[Br-]

InChI

InChI=1S/C28H24O4P.BrH/c1-30-20-18-24-26(25(19-20)31-2)28(32-27(24)29)33(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-19,28H,1-2H3;1H/q+1;/p-1