iron(3+); propane-1,3-diamine; dodecaethanoate

Systemtic Name: iron(3+); propane-1,3-diamine; dodecaethanoate Openeye Name: tetraferric propane-1,3-diamine dodecaacetate CAS Name: iron(3+); propane-1,3-diamine; dodecaacetate IUPAC Name: iron(3+); propane-1,3-diamine; dodecaacetate Traditional Name: tetraferric 3-aminopropylamine dodecaacetate Formula: C33H66Fe4N6O24 MolecularWeight: 1154.28294

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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)CN.C(CN)CN.C(CN)CN.[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)CN.C(CN)CN.C(CN)CN.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C3H10N2.12C2H4O2.4Fe/c3*4-2-1-3-5;12*1-2(3)4;;;;/h3*1-5H2;12*1H3,(H,3,4);;;;/q;;;;;;;;;;;;;;;4*+3/p-12