ethanenitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate

Systemtic Name: ethanenitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate Openeye Name: acetonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate CAS Name: acetonitrile; palladium(2+); triphenylphosphine; ditetrafluoroborate IUPAC Name: acetonitrile; palladium(2+); triphenylphosphane; ditetrafluoroborate Traditional Name: acetonitrile; palladium(2+); triphenylphosphine; ditetrafluoroborate Formula: C56H48B2F8NP3Pd MolecularWeight: 1107.937529

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/3C18H15P.C2H3N.2BF4.Pd/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;2*2-1(3,4)5;/h3*1-15H;1H3;;;/q;;;;2*-1;+2