iron(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); bromide

Systemtic Name: iron(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); bromide Openeye Name: ferrous tris(3,5-ditert-butylpyrazol-1-yl)boron(1-) bromide CAS Name: iron(2+); tris(3,5-ditert-butyl-1-pyrazolyl)boron(1-); bromide IUPAC Name: iron(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); bromide Traditional Name: ferrous tris(3,5-ditert-butylpyrazol-1-yl)boron(1-) bromide Formula: C33H57BBrFeN6 MolecularWeight: 684.40588

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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.[Fe+2].[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.[Fe+2].[Br-]

InChI

InChI=1S/C33H57BN6.BrH.Fe/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;1H;/q-1;;+2/p-1