cyclopentane; phenol; tri(pyrazol-1-yl)boron(1-); zirconium(2+)

Systemtic Name: cyclopentane; phenol; tri(pyrazol-1-yl)boron(1-); zirconium(2+) Openeye Name: cyclopentane; phenol; tri(pyrazol-1-yl)boron(1-); zirconium(2+) CAS Name: cyclopentane; phenol; tris(1-pyrazolyl)boron(1-); zirconium(2+) IUPAC Name: cyclopentane; phenol; tri(pyrazol-1-yl)boron(1-); zirconium(2+) Traditional Name: cyclopentane; phenol; tri(pyrazol-1-yl)boron(1-); zirconium(2+) Formula: C26H31BN6O2Zr+ MolecularWeight: 561.59834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.C1CCCC1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr+2]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.C1CCCC1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr+2]

InChI

InChI=1S/C9H9BN6.2C6H6O.C5H10.Zr/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-9H;2*1-5,7H;1-5H2;/q-1;;;;+2