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

Systemtic Name: (5-azanyl-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (5-amino-3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (5-amino-3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (5-amino-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: (5-amino-3-keto-phthalan-1-yl)-triphenyl-phosphonium bromide Formula: C26H21BrNO2P MolecularWeight: 490.328201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2C3=C(C=C(C=C3)N)C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2C3=C(C=C(C=C3)N)C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H21NO2P.BrH/c27-19-16-17-23-24(18-19)25(28)29-26(23)30(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-18,26H,27H2;1H/q+1;/p-1