2-[1-hydroxyethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; iron(3+)

Systemtic Name: 2-[1-hydroxyethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; iron(3+) Openeye Name: diferric 2-[1-hydroxyethyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: 2-[1-hydroxyethyl-(2-oxido-2-oxoethyl)amino]acetate; iron(3+) IUPAC Name: 2-[1-hydroxyethyl-(2-oxido-2-oxoethyl)amino]acetate; iron(3+) Traditional Name: diferric 2-[1-hydroxyethyl-(2-keto-2-oxido-ethyl)amino]acetate Formula: C18H27Fe2N3O15 MolecularWeight: 637.10808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N(CC(=O)[O-])CC(=O)[O-])O.CC(N(CC(=O)[O-])CC(=O)[O-])O.CC(N(CC(=O)[O-])CC(=O)[O-])O.[Fe+3].[Fe+3]

Isomeric SMILES

CC(N(CC(=O)[O-])CC(=O)[O-])O.CC(N(CC(=O)[O-])CC(=O)[O-])O.CC(N(CC(=O)[O-])CC(=O)[O-])O.[Fe+3].[Fe+3]

InChI

InChI=1S/3C6H11NO5.2Fe/c3*1-4(8)7(2-5(9)10)3-6(11)12;;/h3*4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;/q;;;2*+3/p-6