ethanenitrile; palladium; triphenylphosphane; tetrafluoroborate

Systemtic Name: ethanenitrile; palladium; triphenylphosphane; tetrafluoroborate Openeye Name: acetonitrile; palladium; triphenylphosphane; tetrafluoroborate CAS Name: acetonitrile; palladium; triphenylphosphine; tetrafluoroborate IUPAC Name: acetonitrile; palladium; triphenylphosphane; tetrafluoroborate Traditional Name: acetonitrile; palladium; triphenylphosphine; tetrafluoroborate Formula: C40H36BF4N2P2Pd- MolecularWeight: 799.899375

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.CC#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]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.CC#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]

InChI

InChI=1S/2C18H15P.2C2H3N.BF4.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*1-2-3;2-1(3,4)5;/h2*1-15H;2*1H3;;/q;;;;-1;