iron(3+); tetrabutylazanium; hexacyanide

Systemtic Name: iron(3+); tetrabutylazanium; hexacyanide Openeye Name: ferric tetrabutylammonium hexacyanide CAS Name: iron(3+); tetrabutylammonium; hexacyanide IUPAC Name: iron(3+); tetrabutylazanium; hexacyanide Traditional Name: ferric tetrabutylammonium hexacyanide Formula: C54H108FeN9 MolecularWeight: 939.34062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3]

InChI

InChI=1S/3C16H36N.6CN.Fe/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6*1-2;/h3*5-16H2,1-4H3;;;;;;;/q3*+1;6*-1;+3