benzenecarbonitrile; palladium(2+); ditetrafluoroborate

Systemtic Name: benzenecarbonitrile; palladium(2+); ditetrafluoroborate Openeye Name: benzonitrile; palladium(2+); ditetrafluoroborate CAS Name: benzonitrile; palladium(2+); ditetrafluoroborate IUPAC Name: benzonitrile; palladium(2+); ditetrafluoroborate Traditional Name: benzonitrile; palladium(2+); ditetrafluoroborate Formula: C28H20B2F8N4Pd MolecularWeight: 692.514426

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

InChI

InChI=1S/4C7H5N.2BF4.Pd/c4*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h4*1-5H;;;/q;;;;2*-1;+2