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

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

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CN=C1)(N2C=CN=C2)N3C=CN=C3.C1CCCC1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr+2]

Isomeric SMILES

[B-](N1C=CN=C1)(N2C=CN=C2)N3C=CN=C3.C1CCCC1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr+2]

InChI

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