phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+)

Systemtic Name: phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Openeye Name: phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) CAS Name: phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) IUPAC Name: phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Traditional Name: phenylmethylbenzene; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Formula: C22H20BN6Zr MolecularWeight: 470.4694

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=NN1)(C2=CC=NN2)C3=CC=NN3.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Zr+2]

Isomeric SMILES

[B-](C1=CC=NN1)(C2=CC=NN2)C3=CC=NN3.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Zr+2]

InChI

InChI=1S/C13H11.C9H9BN6.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-4-11-14-7(1)10(8-2-5-12-15-8)9-3-6-13-16-9;/h1-11H;1-6H,(H,11,14)(H,12,15)(H,13,16);/q2*-1;+2