(2,5-dicyanophenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide

Systemtic Name: (2,5-dicyanophenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide Openeye Name: (2,5-dicyanophenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphonium dibromide CAS Name: (2,5-dicyanophenyl)-diphenyl-[[4-(triphenylphosphiniumylmethyl)phenyl]methyl]phosphonium dibromide IUPAC Name: (2,5-dicyanophenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide Traditional Name: (2,5-dicyanophenyl)-diphenyl-[4-(triphenylphosphiniumylmethyl)benzyl]phosphonium dibromide Formula: C46H36Br2N2P2 MolecularWeight: 838.546962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=C(C=CC(=C5)C#N)C#N)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=C(C=CC(=C5)C#N)C#N)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C46H36N2P2.2BrH/c47-33-39-30-31-40(34-48)46(32-39)50(44-22-12-4-13-23-44,45-24-14-5-15-25-45)36-38-28-26-37(27-29-38)35-49(41-16-6-1-7-17-41,42-18-8-2-9-19-42)43-20-10-3-11-21-43;;/h1-32H,35-36H2;2*1H/q+2;;/p-2