3-diphenylphosphanylpropyl(diphenyl)phosphane; ethanenitrile; palladium(2+); diperchlorate

Systemtic Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; ethanenitrile; palladium(2+); diperchlorate Openeye Name: acetonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); diperchlorate CAS Name: acetonitrile; 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); diperchlorate IUPAC Name: acetonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); diperchlorate Traditional Name: acetonitrile; 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); diperchlorate Formula: C31H32Cl2N2O8P2Pd MolecularWeight: 799.867902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd+2]

Isomeric SMILES

CC#N.CC#N.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd+2]

InChI

InChI=1S/C27H26P2.2C2H3N.2ClHO4.Pd/c1-5-14-24(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;2*1-2-3;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2