3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); dibromide

Systemtic Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); dibromide Openeye Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); dibromide CAS Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); dibromide IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); dibromide Traditional Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); dibromide Formula: C54H52Br2P4Pd MolecularWeight: 1091.113724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-].[Pd+2]

Isomeric SMILES

C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-].[Pd+2]

InChI

InChI=1S/2C27H26P2.2BrH.Pd/c2*1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h2*1-12,14-21H,13,22-23H2;2*1H;/q;;;;+2/p-2