iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; 2-sulfooxypropane-1,2,3-tricarboxylate

Systemtic Name: iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; 2-sulfooxypropane-1,2,3-tricarboxylate Openeye Name: triferrous 2-sulfooxypropane-1,2,3-tricarboxylate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+); 2-sulfooxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+); 2-sulfooxypropane-1,2,3-tricarboxylate Traditional Name: triferrous 2-sulfoxypropane-1,2,3-tricarboxylate citrate Formula: C12H10Fe3O17S MolecularWeight: 625.7976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O10S.C6H8O7.3Fe/c7-3(8)1-6(5(11)12,2-4(9)10)16-17(13,14)15;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12)(H,13,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6