azanium; iron(3+); propane-1,2-diamine; tetraethanoate; hydrate

Systemtic Name: azanium; iron(3+); propane-1,2-diamine; tetraethanoate; hydrate Openeye Name: ammonium ferric propane-1,2-diamine tetraacetate hydrate CAS Name: ammonium; iron(3+); propane-1,2-diamine; tetraacetate; hydrate IUPAC Name: azanium; iron(3+); propane-1,2-diamine; tetraacetate; hydrate Traditional Name: ammonium ferric (2-amino-1-methyl-ethyl)amine tetraacetate hydrate Formula: C11H28FeN3O9 MolecularWeight: 402.19972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H10N2.4C2H4O2.Fe.H3N.H2O/c1-3(5)2-4;4*1-2(3)4;;;/h3H,2,4-5H2,1H3;4*1H3,(H,3,4);;1H3;1H2/q;;;;;+3;;/p-3