trisodium; ethane-1,2-diamine; iron(3+); dodecaethanoate

Systemtic Name: trisodium; ethane-1,2-diamine; iron(3+); dodecaethanoate Openeye Name: tetraferric trisodium ethane-1,2-diamine dodecaacetate CAS Name: trisodium; ethane-1,2-diamine; iron(3+); dodecaacetate IUPAC Name: trisodium; ethane-1,2-diamine; iron(3+); dodecaacetate Traditional Name: tetraferric trisodium 2-aminoethylamine dodecaacetate Formula: C30H60Fe4N6Na3O24+3 MolecularWeight: 1181.17251

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

InChI

InChI=1S/3C2H8N2.12C2H4O2.4Fe.3Na/c3*3-1-2-4;12*1-2(3)4;;;;;;;/h3*1-4H2;12*1H3,(H,3,4);;;;;;;/q;;;;;;;;;;;;;;;4*+3;3*+1/p-12