benzene; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; ethanenitrile; palladium(2+); tetrafluoroborate

Systemtic Name: benzene; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; ethanenitrile; palladium(2+); tetrafluoroborate Openeye Name: acetonitrile; benzene; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; palladium(2+); tetrafluoroborate CAS Name: acetonitrile; benzene; N-(2-diphenylphosphinophenyl)-1-phenylmethanimine; palladium(2+); tetrafluoroborate IUPAC Name: acetonitrile; benzene; N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine; palladium(2+); tetrafluoroborate Traditional Name: acetonitrile; benzal-(2-diphenylphosphinophenyl)amine; benzene; palladium(2+); tetrafluoroborate Formula: C33H28BF4N2PPd MolecularWeight: 676.787194

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C=NC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C=NC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

InChI

InChI=1S/C25H20NP.C6H5.C2H3N.BF4.Pd/c1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-2-4-6-5-3-1;1-2-3;2-1(3,4)5;/h1-20H;1-5H;1H3;;/q;-1;;-1;+2