iron(2+); pyrazol-1-ium-2-id-1-yl-pyrazol-1-yl-(1H-pyrazol-5-yl)borane

Systemtic Name: iron(2+); pyrazol-1-ium-2-id-1-yl-pyrazol-1-yl-(1H-pyrazol-5-yl)borane Openeye Name: ferrous pyrazol-1-ium-2-id-1-yl-pyrazol-1-yl-(1H-pyrazol-5-yl)borane CAS Name: iron(2+); 1-pyrazol-1-ium-2-idyl-(1-pyrazolyl)-(1H-pyrazol-5-yl)borane IUPAC Name: iron(2+); pyrazol-1-ium-2-id-1-yl-pyrazol-1-yl-(1H-pyrazol-5-yl)borane Traditional Name: ferrous pyrazol-1-ium-2-id-1-yl-pyrazol-1-yl-(1H-pyrazol-5-yl)borane Formula: C18H18B2FeN12+2 MolecularWeight: 479.88292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=NN1)(N2C=CC=N2)[N+]3=CC=C[N-]3.B(C1=CC=NN1)(N2C=CC=N2)[N+]3=CC=C[N-]3.[Fe+2]

Isomeric SMILES

B(C1=CC=NN1)(N2C=CC=N2)[N+]3=CC=C[N-]3.B(C1=CC=NN1)(N2C=CC=N2)[N+]3=CC=C[N-]3.[Fe+2]

InChI

InChI=1S/2C9H9BN6.Fe/c2*1-4-12-15(7-1)10(9-3-6-11-14-9)16-8-2-5-13-16;/h2*1-8H,(H,11,14);/q;;+2