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

Systemtic Name: benzene; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium(3+) Openeye Name: benzene; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium(3+) CAS Name: benzene; tris(3,5-dimethyl-1-pyrazolyl)boron(1-); zirconium(3+) IUPAC Name: benzene; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium(3+) Traditional Name: benzene; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium(3+) Formula: C33H36BN6Zr- MolecularWeight: 618.71414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BN6.3C6H5.Zr/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;3*1-2-4-6-5-3-1;/h7-9H,1-6H3;3*1-5H;/q4*-1;+3