azane; ethanamine; iron(3+); dodecaethanoate

Systemtic Name: azane; ethanamine; iron(3+); dodecaethanoate Openeye Name: tetraferric; ammonia; ethanamine; dodecaacetate CAS Name: ammonia; ethanamine; iron(3+); dodecaacetate IUPAC Name: azane; ethanamine; iron(3+); dodecaacetate Traditional Name: tetraferric; ammonia; ethylamine; dodecaacetate Formula: C30H66Fe4N6O24 MolecularWeight: 1118.25084

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Descriptors Computed from Structure

Canonical SMILES:

CCN.CCN.CCN.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-].N.N.N.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

CCN.CCN.CCN.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-].N.N.N.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C2H7N.12C2H4O2.4Fe.3H3N/c3*1-2-3;12*1-2(3)4;;;;;;;/h3*2-3H2,1H3;12*1H3,(H,3,4);;;;;3*1H3/q;;;;;;;;;;;;;;;4*+3;;;/p-12