barium(2+); iron(6+); oxoazanide; decacyanide

Systemtic Name: barium(2+); iron(6+); oxoazanide; decacyanide Openeye Name: barium(2+); iron(6+); nitroxyl anion; decacyanide CAS Name: barium(2+); iron(6+); nitroxyl anion; decacyanide IUPAC Name: barium(2+); iron(6+); nitroxyl anion; decacyanide Traditional Name: barium(2+); iron(6+); nitroxyl anion; decacyanide Formula: C10Ba3Fe2N12O2+6 MolecularWeight: 843.8572

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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.[N-]=O.[N-]=O.[Fe+6].[Fe+6].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

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

InChI

InChI=1S/10CN.3Ba.2Fe.2NO/c10*1-2;;;;;;2*1-2/q10*-1;3*+2;2*+6;2*-1