hydrogen carbonate; iron(2+); 2-[2-(2-oxidanidyl-2-oxidanylidene-ethanoyl)azanidylphenyl]azanidyl-2-oxidanylidene-ethanoate; tetramethylazanium

Systemtic Name: hydrogen carbonate; iron(2+); 2-[2-(2-oxidanidyl-2-oxidanylidene-ethanoyl)azanidylphenyl]azanidyl-2-oxidanylidene-ethanoate; tetramethylazanium Openeye Name: ferrous; hydrogen carbonate; 2-[2-(2-oxido-2-oxo-acetyl)azanidylphenyl]azanidyl-2-oxo-acetate; tetramethylammonium CAS Name: hydrogen carbonate; iron(2+); 2-[2-(2-oxido-1,2-dioxoethyl)azanidylphenyl]azanidyl-2-oxoacetate; tetramethylammonium IUPAC Name: hydrogen carbonate; iron(2+); 2-[2-(2-oxido-2-oxoacetyl)azanidylphenyl]azanidyl-2-oxoacetate; tetramethylazanium Traditional Name: ferrous; 2-keto-2-[2-(2-keto-2-oxido-acetyl)azanidylphenyl]azanidyl-acetate; tetramethylammonium; bicarbonate Formula: C23H41FeN5O9 MolecularWeight: 587.44474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC=C(C(=C1)[N-]C(=O)C(=O)[O-])[N-]C(=O)C(=O)[O-].C(=O)(O)[O-].[Fe+2]

Isomeric SMILES

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC=C(C(=C1)[N-]C(=O)C(=O)[O-])[N-]C(=O)C(=O)[O-].C(=O)(O)[O-].[Fe+2]

InChI

InChI=1S/C10H8N2O6.3C4H12N.CH2O3.Fe/c13-7(9(15)16)11-5-3-1-2-4-6(5)12-8(14)10(17)18;3*1-5(2,3)4;2-1(3)4;/h1-4H,(H4,11,12,13,14,15,16,17,18);3*1-4H3;(H2,2,3,4);/q;3*+1;;+2/p-5