trisodium; 2-oxidanylbutanedioic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: trisodium; 2-oxidanylbutanedioic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: trisodium 2-hydroxybutanedioic acid citrate CAS Name: trisodium; 2-hydroxybutanedioic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: trisodium; 2-hydroxybutanedioic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: trisodium malic acid citrate Formula: C18H23Na3O22 MolecularWeight: 660.33133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.3C4H6O5.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*5-2(4(8)9)1-3(6)7;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*2,5H,1H2,(H,6,7)(H,8,9);;;/q;;;;3*+1/p-3