iron(6+); nickel(2+); dodecacyanide; hydrate

Systemtic Name: iron(6+); nickel(2+); dodecacyanide; hydrate Openeye Name: trinickelous iron(6+) dodecacyanide hydrate CAS Name: iron(6+); nickel(2+); dodecacyanide; hydrate IUPAC Name: iron(6+); nickel(2+); dodecacyanide; hydrate Traditional Name: trinickelous iron(6+) dodecacyanide hydrate Formula: C12H2Fe2N12Ni3O+6 MolecularWeight: 617.99428

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.[Fe+6].[Fe+6].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.[Fe+6].[Fe+6].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/12CN.2Fe.3Ni.H2O/c12*1-2;;;;;;/h;;;;;;;;;;;;;;;;;1H2/q12*-1;2*+6;3*+2;