N,N-bis(diphenylphosphanylmethyl)aniline; chloranylpalladium(1+); ethanenitrile; perchlorate

Systemtic Name: N,N-bis(diphenylphosphanylmethyl)aniline; chloranylpalladium(1+); ethanenitrile; perchlorate Openeye Name: acetonitrile; N,N-bis(diphenylphosphanylmethyl)aniline; chloropalladium(1+); perchlorate CAS Name: acetonitrile; N,N-bis(diphenylphosphinomethyl)aniline; chloropalladium(1+); perchlorate IUPAC Name: acetonitrile; N,N-bis(diphenylphosphanylmethyl)aniline; chloropalladium(1+); perchlorate Traditional Name: acetonitrile; bis(diphenylphosphinomethyl)-phenyl-amine; chloropalladium(1+); perchlorate Formula: C34H32Cl2N2O4P2Pd MolecularWeight: 771.902402

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=C(C=C1)N(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.Cl[Pd+]

Isomeric SMILES

CC#N.C1=CC=C(C=C1)N(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.Cl[Pd+]

InChI

InChI=1S/C32H29NP2.C2H3N.ClHO4.ClH.Pd/c1-6-16-28(17-7-1)33(26-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30)27-35(31-22-12-4-13-23-31)32-24-14-5-15-25-32;1-2-3;2-1(3,4)5;;/h1-25H,26-27H2;1H3;(H,2,3,4,5);1H;/q;;;;+2/p-2