trisodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; dihydrate

Systemtic Name: trisodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; dihydrate Openeye Name: trisodium citric acid citrate dihydrate CAS Name: trisodium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid; dihydrate IUPAC Name: trisodium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid; dihydrate Traditional Name: trisodium citric acid citrate dihydrate Formula: C24H33Na3O30 MolecularWeight: 870.47013

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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.O.[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.O.[Na+].[Na+].[Na+]

InChI

InChI=1S/4C6H8O7.3Na.2H2O/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;;;;3*+1;;/p-3