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

Systemtic Name: iron(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); iodide Openeye Name: ferrous tris(3,5-ditert-butylpyrazol-1-yl)boron(1-) iodide CAS Name: iron(2+); tris(3,5-ditert-butyl-1-pyrazolyl)boron(1-); iodide IUPAC Name: iron(2+); tris(3,5-ditert-butylpyrazol-1-yl)boron(1-); iodide Traditional Name: ferrous tris(3,5-ditert-butylpyrazol-1-yl)boron(1-) iodide Formula: C33H57BFeIN6 MolecularWeight: 731.40635

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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].[I-]

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].[I-]

InChI

InChI=1S/C33H57BN6.Fe.HI/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