iron(2+); isocyanomethylbenzene; dibromide

Systemtic Name: iron(2+); isocyanomethylbenzene; dibromide Openeye Name: ferrous isocyanomethylbenzene dibromide CAS Name: iron(2+); isocyanomethylbenzene; dibromide IUPAC Name: iron(2+); isocyanomethylbenzene; dibromide Traditional Name: ferrous isocyanomethylbenzene dibromide Formula: C48H42Br2FeN6 MolecularWeight: 918.54028

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[Fe+2].[Br-].[Br-]

Isomeric SMILES

[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[C-]#[N+]CC1=CC=CC=C1.[Fe+2].[Br-].[Br-]

InChI

InChI=1S/6C8H7N.2BrH.Fe/c6*1-9-7-8-5-3-2-4-6-8;;;/h6*2-6H,7H2;2*1H;/q;;;;;;;;+2/p-2