4-(4-aminophenyl)aniline; iron(6+); hexacyanide

Systemtic Name: 4-(4-aminophenyl)aniline; iron(6+); hexacyanide Openeye Name: benzidine; iron(6+); hexacyanide CAS Name: 4-(4-aminophenyl)aniline; iron(6+); hexacyanide IUPAC Name: 4-(4-aminophenyl)aniline; iron(6+); hexacyanide Traditional Name: benzidine; iron(6+); hexacyanide Formula: C30H24FeN10 MolecularWeight: 580.42356

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.[Fe+6]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.[Fe+6]

InChI

InChI=1S/2C12H12N2.6CN.Fe/c2*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;6*1-2;/h2*1-8H,13-14H2;;;;;;;/q;;6*-1;+6