methanidylbenzene; propan-2-ol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+)

Systemtic Name: methanidylbenzene; propan-2-ol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Openeye Name: methanidylbenzene; propan-2-ol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) CAS Name: methanidylbenzene; 2-propanol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) IUPAC Name: methanidylbenzene; propan-2-ol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Traditional Name: methanidylbenzene; propan-2-ol; tris(1H-pyrazol-5-yl)boron(1-); zirconium(2+) Formula: C26H31BN6OZr- MolecularWeight: 545.59894

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=NN1)(C2=CC=NN2)C3=CC=NN3.CC(C)O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+2]

Isomeric SMILES

[B-](C1=CC=NN1)(C2=CC=NN2)C3=CC=NN3.CC(C)O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+2]

InChI

InChI=1S/C9H9BN6.2C7H7.C3H8O.Zr/c1-4-11-14-7(1)10(8-2-5-12-15-8)9-3-6-13-16-9;2*1-7-5-3-2-4-6-7;1-3(2)4;/h1-6H,(H,11,14)(H,12,15)(H,13,16);2*2-6H,1H2;3-4H,1-2H3;/q3*-1;;+2