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

Systemtic Name: 3,5-bis(azanyl)-3,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate; iron(3+) Openeye Name: tetraferric 3,5-diamino-3,5-bis(2-oxido-2-oxo-ethyl)heptanedioate CAS Name: 3,5-diamino-3,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+) IUPAC Name: 3,5-diamino-3,5-bis(2-oxido-2-oxoethyl)heptanedioate; iron(3+) Traditional Name: tetraferric 3,5-diamino-3,5-bis(2-keto-2-oxido-ethyl)pimelate Formula: C33H42Fe4N6O24 MolecularWeight: 1130.09238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/3C11H18N2O8.4Fe/c3*12-10(1-6(14)15,2-7(16)17)5-11(13,3-8(18)19)4-9(20)21;;;;/h3*1-5,12-13H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;;;/q;;;4*+3/p-12