iron(2+); 2,4,6-tripyridin-2-yl-1,3,5-triazine; sulfate

Systemtic Name: iron(2+); 2,4,6-tripyridin-2-yl-1,3,5-triazine; sulfate Openeye Name: ferrous 2,4,6-tris(2-pyridyl)-1,3,5-triazine sulfate CAS Name: iron(2+); 2,4,6-tris(2-pyridinyl)-1,3,5-triazine; sulfate IUPAC Name: iron(2+); 2,4,6-tripyridin-2-yl-1,3,5-triazine; sulfate Traditional Name: ferrous 2,4,6-tris(2-pyridyl)-s-triazine sulfate Formula: C36H24FeN12O4S MolecularWeight: 776.56376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/2C18H12N6.Fe.H2O4S/c2*1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;;1-5(2,3)4/h2*1-12H;;(H2,1,2,3,4)/q;;+2;/p-2