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

Systemtic Name: N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; ethanenitrile; ethanone; palladium(2+); tetrafluoroborate Openeye Name: acetonitrile; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; ethanone; palladium(2+); tetrafluoroborate CAS Name: acetonitrile; N-(2-diphenylphosphinophenyl)-1-phenylmethanimine; ethanone; palladium(2+); tetrafluoroborate IUPAC Name: acetonitrile; N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine; ethanone; palladium(2+); tetrafluoroborate Traditional Name: acetonitrile; benzal-(2-diphenylphosphinophenyl)amine; ethanone; palladium(2+); tetrafluoroborate Formula: C29H26BF4N2OPPd MolecularWeight: 642.727914

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H20NP.C2H3N.C2H3O.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;2*1-2-3;2-1(3,4)5;/h1-20H;2*1H3;;/q;;2*-1;+2