ethanenitrile; palladium(2+); triphenylphosphane

Systemtic Name: ethanenitrile; palladium(2+); triphenylphosphane Openeye Name: acetonitrile; palladium(2+); triphenylphosphane CAS Name: acetonitrile; palladium(2+); triphenylphosphine IUPAC Name: acetonitrile; palladium(2+); triphenylphosphane Traditional Name: acetonitrile; palladium(2+); triphenylphosphine Formula: C56H48NP3Pd+2 MolecularWeight: 934.328303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

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.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;/h3*1-15H;1H3;/q;;;;+2