[4-(4H-chromen-7-ylcarbonyl)-2-cyano-phenyl]-diphenyl-phosphanium bromide

Systemtic Name: [4-(4H-chromen-7-ylcarbonyl)-2-cyano-phenyl]-diphenyl-phosphanium bromide Openeye Name: [4-(4H-chromene-7-carbonyl)-2-cyano-phenyl]-diphenyl-phosphonium bromide CAS Name: [4-[4H-1-benzopyran-7-yl(oxo)methyl]-2-cyanophenyl]-diphenylphosphonium bromide IUPAC Name: [4-(4H-chromene-7-carbonyl)-2-cyanophenyl]-diphenylphosphanium bromide Traditional Name: [4-(4H-chromene-7-carbonyl)-2-cyano-phenyl]-diphenyl-phosphonium bromide Formula: C29H21BrNO2P MolecularWeight: 526.360301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=COC2=C1C=CC(=C2)C(=O)C3=CC(=C(C=C3)[PH+](C4=CC=CC=C4)C5=CC=CC=C5)C#N.[Br-]

Isomeric SMILES

C1C=COC2=C1C=CC(=C2)C(=O)C3=CC(=C(C=C3)[PH+](C4=CC=CC=C4)C5=CC=CC=C5)C#N.[Br-]

InChI

InChI=1S/C29H20NO2P.BrH/c30-20-24-18-22(29(31)23-14-13-21-8-7-17-32-27(21)19-23)15-16-28(24)33(25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-7,9-19H,8H2;1H