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

Systemtic Name: azanium; 3,5-bis(azanyl)-3,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate; iron(3+); hydrate Openeye Name: ammonium ferric 3,5-diamino-3,5-bis(2-oxido-2-oxo-ethyl)heptanedioate hydrate CAS Name: ammonium; 3,5-diamino-3,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+); hydrate IUPAC Name: azanium; 3,5-diamino-3,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+); hydrate Traditional Name: ammonium ferric 3,5-diamino-3,5-bis(2-keto-2-oxido-ethyl)pimelate hydrate Formula: C11H20FeN3O9 MolecularWeight: 394.1362

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(CC(CC(=O)[O-])(CC(=O)[O-])N)N.[NH4+].O.[Fe+3]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(CC(CC(=O)[O-])(CC(=O)[O-])N)N.[NH4+].O.[Fe+3]

InChI

InChI=1S/C11H18N2O8.Fe.H3N.H2O/c12-10(1-6(14)15,2-7(16)17)5-11(13,3-8(18)19)4-9(20)21;;;/h1-5,12-13H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3;1H2/q;+3;;/p-3