(5,6-diethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5,6-diethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-triphenyl-phosphanium bromide Openeye Name: (5,6-diethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenyl-phosphonium bromide CAS Name: (5,6-diethoxy-3-oxo-1H-isobenzofuran-1-yl)-triphenylphosphonium bromide IUPAC Name: (5,6-diethoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide Traditional Name: (5,6-diethoxy-3-keto-phthalan-1-yl)-triphenyl-phosphonium bromide Formula: C30H28BrO4P MolecularWeight: 563.418681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(OC2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC.[Br-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(OC2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC.[Br-]

InChI

InChI=1S/C30H28O4P.BrH/c1-3-32-27-20-25-26(21-28(27)33-4-2)30(34-29(25)31)35(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-21,30H,3-4H2,1-2H3;1H/q+1;/p-1