N'-(2-azanylethyl)ethane-1,2-diamine; iron(3+); dodecaethanoate

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; iron(3+); dodecaethanoate Openeye Name: tetraferric N'-(2-aminoethyl)ethane-1,2-diamine dodecaacetate CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; iron(3+); dodecaacetate IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; iron(3+); dodecaacetate Traditional Name: tetraferric bis(2-aminoethyl)amine dodecaacetate Formula: C36H75Fe4N9O24 MolecularWeight: 1241.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C4H13N3.12C2H4O2.4Fe/c3*5-1-3-7-4-2-6;12*1-2(3)4;;;;/h3*7H,1-6H2;12*1H3,(H,3,4);;;;/q;;;;;;;;;;;;;;;4*+3/p-12