triazanium; iron(3+); iron(6+); 2-oxidanylpropane-1,2,3-tricarboxylate; octadecacyanide

Systemtic Name: triazanium; iron(3+); iron(6+); 2-oxidanylpropane-1,2,3-tricarboxylate; octadecacyanide Openeye Name: triammonium triferric iron(6+) citrate octadecacyanide CAS Name: triammonium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); iron(6+); octadecacyanide IUPAC Name: triazanium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); iron(6+); octadecacyanide Traditional Name: triammonium triferric iron(6+) citrate octadecacyanide Formula: C24H17Fe6N21O7+9 MolecularWeight: 1046.59828

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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.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Fe+3].[Fe+3].[Fe+3].[Fe+6].[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.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Fe+3].[Fe+3].[Fe+3].[Fe+6].[Fe+6].[Fe+6]

InChI

InChI=1S/C6H8O7.18CN.6Fe.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;18*1-2;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;;;;;;;;;;;;;;;;3*1H3/q;18*-1;3*+3;3*+6;;;