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

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; iron(3+); 2-oxidanidylpropane-1,2,3-tricarboxylate; trihydrate Openeye Name: ferric; 2-hydroxyethyl(trimethyl)ammonium; 2-oxidopropane-1,2,3-tricarboxylate; trihydrate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; iron(3+); 2-oxidopropane-1,2,3-tricarboxylate; trihydrate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; iron(3+); 2-oxidopropane-1,2,3-tricarboxylate; trihydrate Traditional Name: ferric; 2-hydroxyethyl(trimethyl)ammonium; 2-oxidopropane-1,2,3-tricarboxylate; trihydrate Formula: C11H24FeNO11 MolecularWeight: 402.15336

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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-].O.O.O.[Fe+3]

Isomeric SMILES

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

InChI

InChI=1S/C6H7O7.C5H14NO.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;;3*1H2/q-1;+1;+3;;;/p-3