hexane-1,2,3,4,5,6-hexol; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: hexane-1,2,3,4,5,6-hexol; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: ferric; citric acid; hexane-1,2,3,4,5,6-hexol CAS Name: hexane-1,2,3,4,5,6-hexol; 2-hydroxypropane-1,2,3-tricarboxylic acid; iron(3+) IUPAC Name: hexane-1,2,3,4,5,6-hexol; 2-hydroxypropane-1,2,3-tricarboxylic acid; iron(3+) Traditional Name: ferric; citric acid; hexane-1,2,3,4,5,6-hexol Formula: C12H22FeO13+3 MolecularWeight: 430.14028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3