cyanomethyl(triphenyl)phosphanium; palladium(2+); triphenylphosphane; ditetrafluoroborate

Systemtic Name: cyanomethyl(triphenyl)phosphanium; palladium(2+); triphenylphosphane; ditetrafluoroborate Openeye Name: cyanomethyl(triphenyl)phosphonium; palladium(2+); triphenylphosphane; ditetrafluoroborate CAS Name: cyanomethyl(triphenyl)phosphonium; palladium(2+); triphenylphosphine; ditetrafluoroborate IUPAC Name: cyanomethyl(triphenyl)phosphanium; palladium(2+); triphenylphosphane; ditetrafluoroborate Traditional Name: cyanomethyl(triphenyl)phosphonium; palladium(2+); triphenylphosphine; ditetrafluoroborate Formula: C56H47B2F8NP3Pd+ MolecularWeight: 1106.929589

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI

InChI=1S/C20H17NP.2C18H15P.2BF4.Pd/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)5;/h1-15H,17H2;2*1-15H;;;/q+1;;;2*-1;+2