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

Systemtic Name: iron(2+); tris(3,5-diethylpyrazol-1-yl)boron(1-); bromide Openeye Name: ferrous tris(3,5-diethylpyrazol-1-yl)boron(1-) bromide CAS Name: iron(2+); tris(3,5-diethyl-1-pyrazolyl)boron(1-); bromide IUPAC Name: iron(2+); tris(3,5-diethylpyrazol-1-yl)boron(1-); bromide Traditional Name: ferrous tris(3,5-diethylpyrazol-1-yl)boron(1-) bromide Formula: C21H33BBrFeN6 MolecularWeight: 516.08692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33BN6.BrH.Fe/c1-7-16-13-19(10-4)26(23-16)22(27-20(11-5)14-17(8-2)24-27)28-21(12-6)15-18(9-3)25-28;;/h13-15H,7-12H2,1-6H3;1H;/q-1;;+2/p-1