tricalcium iron(6+) dodecacyanide

Systemtic Name: tricalcium iron(6+) dodecacyanide Openeye Name: tricalcium iron(6+) dodecacyanide CAS Name: tricalcium iron(6+) dodecacyanide IUPAC Name: tricalcium iron(6+) dodecacyanide Traditional Name: tricalcium iron(6+) dodecacyanide Formula: C12Ca3Fe2N12+6 MolecularWeight: 544.1328

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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.[Ca+2].[Ca+2].[Ca+2].[Fe+6].[Fe+6]

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.[Ca+2].[Ca+2].[Ca+2].[Fe+6].[Fe+6]

InChI

InChI=1S/12CN.3Ca.2Fe/c12*1-2;;;;;/q12*-1;3*+2;2*+6