titanium(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); tribromide

Systemtic Name: titanium(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); tribromide Openeye Name: titanium(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); tribromide CAS Name: titanium(2+); tris(3,5-ditert-butyl-1-pyrazolyl)boron(1-); tribromide IUPAC Name: titanium(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); tribromide Traditional Name: titanium(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); tribromide Formula: C33H57BBr3N6Ti-2 MolecularWeight: 836.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C(C)(C)C)C(C)(C)C)(N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)N3C(=CC(=N3)C(C)(C)C)C(C)(C)C.[Ti+2].[Br-].[Br-].[Br-]

Isomeric SMILES

[B-](N1C(=CC(=N1)C(C)(C)C)C(C)(C)C)(N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)N3C(=CC(=N3)C(C)(C)C)C(C)(C)C.[Ti+2].[Br-].[Br-].[Br-]

InChI

InChI=1S/C33H57BN6.3BrH.Ti/c1-28(2,3)22-19-25(31(10,11)12)38(35-22)34(39-26(32(13,14)15)20-23(36-39)29(4,5)6)40-27(33(16,17)18)21-24(37-40)30(7,8)9;;;;/h19-21H,1-18H3;3*1H;/q-1;;;;+2/p-3