iron; iron(4+); 1,4,7-triazonane; tetradecahydrate

Systemtic Name: iron; iron(4+); 1,4,7-triazonane; tetradecahydrate Openeye Name: iron; iron(4+); 1,4,7-triazonane; tetradecahydrate CAS Name: iron; iron(4+); 1,4,7-triazonane; tetradecahydrate IUPAC Name: iron; iron(4+); 1,4,7-triazonane; tetradecahydrate Traditional Name: iron; iron(4+); 1,4,7-triazonane; tetradecahydrate Formula: C36H118Fe8N18O14+24 MolecularWeight: 1474.19432

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe+4].[Fe+4].[Fe+4].[Fe+4].[Fe+4].[Fe+4]

Isomeric SMILES

C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.C1CNCCNCCN1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe+4].[Fe+4].[Fe+4].[Fe+4].[Fe+4].[Fe+4]

InChI

InChI=1S/6C6H15N3.8Fe.14H2O/c6*1-2-8-5-6-9-4-3-7-1;;;;;;;;;;;;;;;;;;;;;;/h6*7-9H,1-6H2;;;;;;;;;14*1H2/q;;;;;;;;6*+4;;;;;;;;;;;;;;