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

Systemtic Name: azane; ethane-1,2-diamine; iron(3+); dodecaethanoate; dihydrate Openeye Name: tetraferric; ammonia; ethane-1,2-diamine; dodecaacetate; dihydrate CAS Name: ammonia; ethane-1,2-diamine; iron(3+); dodecaacetate; dihydrate IUPAC Name: azane; ethane-1,2-diamine; iron(3+); dodecaacetate; dihydrate Traditional Name: tetraferric; 2-aminoethylamine; ammonia; dodecaacetate; dihydrate Formula: C30H73Fe4N9O26 MolecularWeight: 1199.32532

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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.N.N.N.O.O.[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.N.N.N.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C2H8N2.12C2H4O2.4Fe.3H3N.2H2O/c3*3-1-2-4;12*1-2(3)4;;;;;;;;;/h3*1-4H2;12*1H3,(H,3,4);;;;;3*1H3;2*1H2/q;;;;;;;;;;;;;;;4*+3;;;;;/p-12