2-[2-[[2-(2-hydroxyethyloxy)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethylamino]ethanoate; iron(3+)

Systemtic Name: 2-[2-[[2-(2-hydroxyethyloxy)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethylamino]ethanoate; iron(3+) Openeye Name: diferric 2-[2-[[2-(2-hydroxyethoxy)-2-oxo-ethyl]-(2-oxido-2-oxo-ethyl)amino]ethylamino]acetate CAS Name: 2-[2-[[2-(2-hydroxyethoxy)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethylamino]acetate; iron(3+) IUPAC Name: 2-[2-[[2-(2-hydroxyethoxy)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethylamino]acetate; iron(3+) Traditional Name: diferric 2-[2-[[2-(2-hydroxyethoxy)-2-keto-ethyl]-(2-keto-2-oxido-ethyl)amino]ethylamino]acetate Formula: C30H48Fe2N6O21 MolecularWeight: 940.41972

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].[Fe+3].[Fe+3]

Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)OCCO)NCC(=O)[O-].[Fe+3].[Fe+3]

InChI

InChI=1S/3C10H18N2O7.2Fe/c3*13-3-4-19-10(18)7-12(6-9(16)17)2-1-11-5-8(14)15;;/h3*11,13H,1-7H2,(H,14,15)(H,16,17);;/q;;;2*+3/p-6