disodium; 2-(carboxymethyl)-2-oxidanyl-butanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate; dihydrate

Systemtic Name: disodium; 2-(carboxymethyl)-2-oxidanyl-butanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate; dihydrate Openeye Name: disodium 2-(carboxymethyl)-2-hydroxy-butanedioate citrate dihydrate CAS Name: disodium; 2-(carboxymethyl)-2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate; dihydrate IUPAC Name: disodium; 2-(carboxymethyl)-2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate; dihydrate Traditional Name: disodium 2-(carboxymethyl)-2-hydroxy-succinate citrate dihydrate Formula: C12H15Na2O16-3 MolecularWeight: 461.21744

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

InChI

InChI=1S/2C6H8O7.2Na.2H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;2*1H2/q;;2*+1;;/p-5