3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-triphenyl-phosphanium bromide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-triphenyl-phosphonium bromide CAS Name: 3-(1,3-dioxo-2-isoindolyl)propyl-triphenylphosphonium bromide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-triphenylphosphanium bromide Traditional Name: triphenyl(3-phthalimidopropyl)phosphonium bromide Formula: C29H25BrNO2P MolecularWeight: 530.392061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H25NO2P.BrH/c31-28-26-19-10-11-20-27(26)29(32)30(28)21-12-22-33(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-11,13-20H,12,21-22H2;1H/q+1;/p-1