3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate; iron(3+); dihydrate

Systemtic Name: 3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate; iron(3+); dihydrate Openeye Name: ferric 3,4-diamino-3,4-bis(2-oxido-2-oxo-ethyl)hexanedioate dihydrate CAS Name: 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate; iron(3+); dihydrate IUPAC Name: 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate; iron(3+); dihydrate Traditional Name: ferric 3,4-diamino-3,4-bis(2-keto-2-oxido-ethyl)adipate dihydrate Formula: C10H16FeN2O10- MolecularWeight: 380.08644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O8.Fe.2H2O/c11-9(1-5(13)14,2-6(15)16)10(12,3-7(17)18)4-8(19)20;;;/h1-4,11-12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H2/q;+3;;/p-4