benzene-1,2-diol; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium

Systemtic Name: benzene-1,2-diol; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium Openeye Name: benzene-1,2-diol; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium CAS Name: benzene-1,2-diol; tris(3,5-dimethyl-1-pyrazolyl)boron(1-); zirconium IUPAC Name: benzene-1,2-diol; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium Traditional Name: pyrocatechol; tris(3,5-dimethylpyrazol-1-yl)boron(1-); zirconium Formula: C48H60B2N12O6Zr2-2 MolecularWeight: 1105.1368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H21BN6.3C6H6O2.2Zr/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;3*7-5-3-1-2-4-6(5)8;;/h2*7-9H,1-6H3;3*1-4,7-8H;;/q2*-1;;;;;