ethanenitrile; ruthenium(1+); triphenylphosphane; tri(pyrazol-1-yl)boron(1-)

Systemtic Name: ethanenitrile; ruthenium(1+); triphenylphosphane; tri(pyrazol-1-yl)boron(1-) Openeye Name: acetonitrile; ruthenium(1+); triphenylphosphane; tri(pyrazol-1-yl)boron(1-) CAS Name: acetonitrile; ruthenium(1+); triphenylphosphine; tris(1-pyrazolyl)boron(1-) IUPAC Name: acetonitrile; ruthenium(1+); triphenylphosphane; tri(pyrazol-1-yl)boron(1-) Traditional Name: acetonitrile; ruthenium(1+); triphenylphosphine; tri(pyrazol-1-yl)boron(1-) Formula: C29H27BN7PRu MolecularWeight: 616.426341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+]

InChI

InChI=1S/C18H15P.C9H9BN6.C2H3N.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3;/h1-15H;1-9H;1H3;/q;-1;;+1