2-hydroxyethyl(trimethyl)azanium; iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: ferrous 2-hydroxyethyl(trimethyl)ammonium citrate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) Traditional Name: ferrous 2-hydroxyethyl(trimethyl)ammonium citrate Formula: C11H19FeNO8 MolecularWeight: 349.11546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C5H14NO.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;/q;+1;+2/p-3