octasodium; ethane-1,2-diamine; iron(3+); icosaethanoate

Systemtic Name: octasodium; ethane-1,2-diamine; iron(3+); icosaethanoate Openeye Name: tetraferric octasodium ethane-1,2-diamine icosaacetate CAS Name: octasodium; ethane-1,2-diamine; iron(3+); eicosaacetate IUPAC Name: octasodium; ethane-1,2-diamine; iron(3+); icosaacetate Traditional Name: tetraferric octasodium 2-aminoethylamine eicosaacetate Formula: C50H100Fe4N10Na8O40 MolecularWeight: 1888.67016

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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-].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(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[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-].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(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/5C2H8N2.20C2H4O2.4Fe.8Na/c5*3-1-2-4;20*1-2(3)4;;;;;;;;;;;;/h5*1-4H2;20*1H3,(H,3,4);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;4*+3;8*+1/p-20