iron(3+); iron(6+); 2-oxidanylideneethanenitrile

Systemtic Name: iron(3+); iron(6+); 2-oxidanylideneethanenitrile Openeye Name: heptaferric; iron(6+); 2-oxoacetonitrile CAS Name: iron(3+); iron(6+); 2-oxoacetonitrile IUPAC Name: iron(3+); iron(6+); 2-oxoacetonitrile Traditional Name: heptaferric; iron(6+); 2-ketoacetonitrile Formula: C30Fe10N15O15+24 MolecularWeight: 1368.8625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+6].[Fe+6].[Fe+6]

Isomeric SMILES

[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[C-](=O)C#N.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+6].[Fe+6].[Fe+6]

InChI

InChI=1S/15C2NO.10Fe/c15*3-1-2-4;;;;;;;;;;/q15*-1;7*+3;3*+6