azane; 2-(2-chloranyloxy-2-oxidanylidene-ethyl)-2-oxidanyl-butanedioate; iron(3+)

Systemtic Name: azane; 2-(2-chloranyloxy-2-oxidanylidene-ethyl)-2-oxidanyl-butanedioate; iron(3+) Openeye Name: diferric; ammonia; 2-(2-chlorooxy-2-oxo-ethyl)-2-hydroxy-butanedioate CAS Name: ammonia; 2-(2-chlorooxy-2-oxoethyl)-2-hydroxybutanedioate; iron(3+) IUPAC Name: azane; 2-(2-chlorooxy-2-oxoethyl)-2-hydroxybutanedioate; iron(3+) Traditional Name: diferric; ammonia; 2-(2-chlorooxy-2-keto-ethyl)-2-hydroxy-succinate Formula: C18H27Cl3Fe2N4O21 MolecularWeight: 853.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H7ClO7.2Fe.4H3N/c3*7-14-4(10)2-6(13,5(11)12)1-3(8)9;;;;;;/h3*13H,1-2H2,(H,8,9)(H,11,12);;;4*1H3/q;;;2*+3;;;;/p-6