iron(2+); iron(3+); octadecacyanide; tetradecahydrate

Systemtic Name: iron(2+); iron(3+); octadecacyanide; tetradecahydrate Openeye Name: tetraferric triferrous octadecacyanide tetradecahydrate CAS Name: iron(2+); iron(3+); octadecacyanide; tetradecahydrate IUPAC Name: iron(2+); iron(3+); octadecacyanide; tetradecahydrate Traditional Name: tetraferric triferrous octadecacyanide tetradecahydrate Formula: C18H28Fe7N18O14 MolecularWeight: 1111.44212

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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.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

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.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/18CN.7Fe.14H2O/c18*1-2;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;;;;;;;;14*1H2/q18*-1;3*+2;4*+3;;;;;;;;;;;;;;