benzenecarbonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate

Systemtic Name: benzenecarbonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate Openeye Name: benzonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate CAS Name: benzonitrile; palladium(2+); triphenylphosphine; ditetrafluoroborate IUPAC Name: benzonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate Traditional Name: benzonitrile; palladium(2+); triphenylphosphine; ditetrafluoroborate Formula: C50H40B2F8N2P2Pd MolecularWeight: 1010.842748

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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)C#N.C1=CC=C(C=C1)C#N.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.[Pd+2]

Isomeric SMILES

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

InChI

InChI=1S/2C18H15P.2C7H5N.2BF4.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h2*1-15H;2*1-5H;;;/q;;;;2*-1;+2