iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphonato phosphate

Systemtic Name: iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphonato phosphate Openeye Name: ferric; citric acid; phosphonato phosphate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; iron(3+); phosphonato phosphate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; iron(3+); phosphonato phosphate Traditional Name: ferric; citric acid; phosphonato phosphate Formula: C6H8FeO14P2- MolecularWeight: 421.911842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Fe.H4O7P2/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-8(2,3)7-9(4,5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H2,1,2,3)(H2,4,5,6)/q;+3;/p-4