2-[azanyloxy(2-hydroxyethyl)amino]ethanol; iron(3+); dodecaethanoate

Systemtic Name: 2-[azanyloxy(2-hydroxyethyl)amino]ethanol; iron(3+); dodecaethanoate Openeye Name: tetraferric 2-[aminooxy(2-hydroxyethyl)amino]ethanol dodecaacetate CAS Name: 2-[aminooxy(2-hydroxyethyl)amino]ethanol; iron(3+); dodecaacetate IUPAC Name: 2-[aminooxy(2-hydroxyethyl)amino]ethanol; iron(3+); dodecaacetate Traditional Name: tetraferric 2-[aminooxy(2-hydroxyethyl)amino]ethanol dodecaacetate Formula: C36H72Fe4N6O33 MolecularWeight: 1340.35728

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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(CO)N(CCO)ON.C(CO)N(CCO)ON.C(CO)N(CCO)ON.[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(CO)N(CCO)ON.C(CO)N(CCO)ON.C(CO)N(CCO)ON.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C4H12N2O3.12C2H4O2.4Fe/c3*5-9-6(1-3-7)2-4-8;12*1-2(3)4;;;;/h3*7-8H,1-5H2;12*1H3,(H,3,4);;;;/q;;;;;;;;;;;;;;;4*+3/p-12