methanidylbenzene; tri(pyrazol-1-yl)boron(1-); zirconium(3+)

Systemtic Name: methanidylbenzene; tri(pyrazol-1-yl)boron(1-); zirconium(3+) Openeye Name: methanidylbenzene; tri(pyrazol-1-yl)boron(1-); zirconium(3+) CAS Name: methanidylbenzene; tris(1-pyrazolyl)boron(1-); zirconium(3+) IUPAC Name: methanidylbenzene; tri(pyrazol-1-yl)boron(1-); zirconium(3+) Traditional Name: methanidylbenzene; tri(pyrazol-1-yl)boron(1-); zirconium(3+) Formula: C30H30BN6Zr- MolecularWeight: 576.6344

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

InChI

InChI=1S/C9H9BN6.3C7H7.Zr/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;3*1-7-5-3-2-4-6-7;/h1-9H;3*2-6H,1H2;/q4*-1;+3