diethyl-methyl-octadecyl-azanium; iron(2+); hexacyanide

Systemtic Name: diethyl-methyl-octadecyl-azanium; iron(2+); hexacyanide Openeye Name: ferrous diethyl-methyl-octadecyl-ammonium hexacyanide CAS Name: diethyl-methyl-octadecylammonium; iron(2+); hexacyanide IUPAC Name: diethyl-methyl-octadecylazanium; iron(2+); hexacyanide Traditional Name: ferrous diethyl-methyl-stearyl-ammonium hexacyanide Formula: C98H200FeN10 MolecularWeight: 1574.5486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.CCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]

InChI

InChI=1S/4C23H50N.6CN.Fe/c4*1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(4,6-2)7-3;6*1-2;/h4*5-23H2,1-4H3;;;;;;;/q4*+1;6*-1;+2