tetrasodium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphonato phosphate

Systemtic Name: tetrasodium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphonato phosphate Openeye Name: tetrasodium; citric acid; phosphonato phosphate CAS Name: tetrasodium; 2-hydroxypropane-1,2,3-tricarboxylic acid; phosphonato phosphate IUPAC Name: tetrasodium; 2-hydroxypropane-1,2,3-tricarboxylic acid; phosphonato phosphate Traditional Name: tetrasodium; citric acid; phosphonato phosphate Formula: C24H32Na4O35P2 MolecularWeight: 1034.396482

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

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

InChI

InChI=1S/4C6H8O7.4Na.H4O7P2/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;1-8(2,3)7-9(4,5)6/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;(H2,1,2,3)(H2,4,5,6)/q;;;;4*+1;/p-4