(4-oxidanylidene-3,8-dihydro-2H-phthalazin-6-yl)carbonyl-triphenyl-phosphanium bromide

Systemtic Name: (4-oxidanylidene-3,8-dihydro-2H-phthalazin-6-yl)carbonyl-triphenyl-phosphanium bromide Openeye Name: (4-oxo-3,8-dihydro-2H-phthalazine-6-carbonyl)-triphenyl-phosphonium bromide CAS Name: [oxo-(4-oxo-3,8-dihydro-2H-phthalazin-6-yl)methyl]-triphenylphosphonium bromide IUPAC Name: (4-oxo-3,8-dihydro-2H-phthalazine-6-carbonyl)-triphenylphosphanium bromide Traditional Name: (4-keto-3,8-dihydro-2H-phthalazine-6-carbonyl)-triphenyl-phosphonium bromide Formula: C27H22BrN2O2P MolecularWeight: 517.353541

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C2C1=CNNC2=O)C(=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C=C(C=C2C1=CNNC2=O)C(=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H21N2O2P.BrH/c30-26-25-18-20(16-17-21(25)19-28-29-26)27(31)32(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-16,18-19,28H,17H2;1H