sodium; 2-acetyloxyethyl ethanoate; azane; ethanol; iron(3+); tetraethanoate

Systemtic Name: sodium; 2-acetyloxyethyl ethanoate; azane; ethanol; iron(3+); tetraethanoate Openeye Name: ferric; sodium; 2-acetoxyethyl acetate; ammonia; ethanol; tetraacetate CAS Name: sodium; acetic acid 2-acetyloxyethyl ester; ammonia; ethanol; iron(3+); tetraacetate IUPAC Name: sodium; 2-acetyloxyethyl acetate; azane; ethanol; iron(3+); tetraacetate Traditional Name: ferric; sodium; acetic acid 2-acetoxyethyl ester; ammonia; ethanol; tetraacetate Formula: C34H82FeN8NaO25 MolecularWeight: 1081.88825

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.N.N.N.N.N.N.N.N.[Na+].[Fe+3]

Isomeric SMILES

CCO.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.N.N.N.N.N.N.N.N.[Na+].[Fe+3]

InChI

InChI=1S/4C6H10O4.4C2H4O2.C2H6O.Fe.8H3N.Na/c4*1-5(7)9-3-4-10-6(2)8;4*1-2(3)4;1-2-3;;;;;;;;;;/h4*3-4H2,1-2H3;4*1H3,(H,3,4);3H,2H2,1H3;;8*1H3;/q;;;;;;;;;+3;;;;;;;;;+1/p-4