3,4-bis(azanyl)-5,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanyl-heptanedioate; iron(3+)

Systemtic Name: 3,4-bis(azanyl)-5,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanyl-heptanedioate; iron(3+) Openeye Name: tetraferric 3,4-diamino-3-hydroxy-5,5-bis(2-oxido-2-oxo-ethyl)heptanedioate CAS Name: 3,4-diamino-3-hydroxy-5,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+) IUPAC Name: 3,4-diamino-3-hydroxy-5,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+) Traditional Name: tetraferric 3,4-diamino-3-hydroxy-5,5-bis(2-keto-2-oxido-ethyl)pimelate Formula: C33H42Fe4N6O27 MolecularWeight: 1178.09058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H18N2O9.4Fe/c3*12-9(11(13,22)4-8(20)21)10(1-5(14)15,2-6(16)17)3-7(18)19;;;;/h3*9,22H,1-4,12-13H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;;;/q;;;4*+3/p-12