sodium; iron(3+); 2-oxidanidylpropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid

Systemtic Name: sodium; iron(3+); 2-oxidanidylpropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid Openeye Name: diferric; sodium; 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid CAS Name: sodium; iron(3+); 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid IUPAC Name: sodium; iron(3+); 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid Traditional Name: diferric; sodium; 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid Formula: C7H10Fe2NaO13P2+3 MolecularWeight: 498.773792

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C(P(=O)(O)O)P(=O)(O)O.[Na+].[Fe+3].[Fe+3]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C(P(=O)(O)O)P(=O)(O)O.[Na+].[Fe+3].[Fe+3]

InChI

InChI=1S/C6H7O7.CH6O6P2.2Fe.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-8(3,4)1-9(5,6)7;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2,(H2,2,3,4)(H2,5,6,7);;;/q-1;;2*+3;+1/p-3