(4,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide

Systemtic Name: (4,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (4,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (4,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (4,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: (3-keto-4,7-dimethoxy-phthalan-1-yl)-triphenyl-phosphonium bromide Formula: C28H24BrO4P MolecularWeight: 535.365521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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