iron(6+); tetrakis-decylazanium; hexacyanide

Systemtic Name: iron(6+); tetrakis-decylazanium; hexacyanide Openeye Name: iron(6+); tetrakis-decylammonium; hexacyanide CAS Name: iron(6+); tetrakis-decylammonium; hexacyanide IUPAC Name: iron(6+); tetrakis-decylazanium; hexacyanide Traditional Name: iron(6+); tetrakis-decylammonium; hexacyanide Formula: C126H252FeN9+3 MolecularWeight: 1949.25438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]

Isomeric SMILES

CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]

InChI

InChI=1S/3C40H84N.6CN.Fe/c3*1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;6*1-2;/h3*5-40H2,1-4H3;;;;;;;/q3*+1;6*-1;+6