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

Systemtic Name: 3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate; iron(3+) Openeye Name: tetraferric 3,4-diamino-3,4-bis(2-oxido-2-oxo-ethyl)hexanedioate CAS Name: 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate; iron(3+) IUPAC Name: 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate; iron(3+) Traditional Name: tetraferric 3,4-diamino-3,4-bis(2-keto-2-oxido-ethyl)adipate Formula: C30H36Fe4N6O24 MolecularWeight: 1088.01264

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H16N2O8.4Fe/c3*11-9(1-5(13)14,2-6(15)16)10(12,3-7(17)18)4-8(19)20;;;;/h3*1-4,11-12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;;;4*+3/p-12