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

Systemtic Name: (5-methoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (5-methoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (5-methoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (5-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: (3-keto-5-methoxy-phthalan-1-yl)-triphenyl-phosphonium bromide Formula: C27H22BrO3P MolecularWeight: 505.339541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(OC2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(OC2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H22O3P.BrH/c1-29-20-17-18-24-25(19-20)26(28)30-27(24)31(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-19,27H,1H3;1H/q+1;/p-1