methanidylbenzene; tris(3,5-dimethylpyrazol-3-yl)boron(1-); zirconium(3+)

Systemtic Name: methanidylbenzene; tris(3,5-dimethylpyrazol-3-yl)boron(1-); zirconium(3+) Openeye Name: methanidylbenzene; tris(3,5-dimethylpyrazol-3-yl)boron(1-); zirconium(3+) CAS Name: methanidylbenzene; tris(3,5-dimethyl-3-pyrazolyl)boron(1-); zirconium(3+) IUPAC Name: methanidylbenzene; tris(3,5-dimethylpyrazol-3-yl)boron(1-); zirconium(3+) Traditional Name: methanidylbenzene; tris(3,5-dimethylpyrazol-3-yl)boron(1-); zirconium(3+) Formula: C36H42BN6Zr- MolecularWeight: 660.79388

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1(C=C(N=N1)C)C)(C2(C=C(N=N2)C)C)C3(C=C(N=N3)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

Isomeric SMILES

[B-](C1(C=C(N=N1)C)C)(C2(C=C(N=N2)C)C)C3(C=C(N=N3)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

InChI

InChI=1S/C15H21BN6.3C7H7.Zr/c1-10-7-13(4,20-17-10)16(14(5)8-11(2)18-21-14)15(6)9-12(3)19-22-15;3*1-7-5-3-2-4-6-7;/h7-9H,1-6H3;3*2-6H,1H2;/q4*-1;+3