hexasodium; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylate; carbonate

Systemtic Name: hexasodium; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylate; carbonate Openeye Name: hexasodium hydrogen carbonate carbonate citrate CAS Name: hexasodium; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylate; carbonate IUPAC Name: hexasodium; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylate; carbonate Traditional Name: hexasodium bicarbonate carbonate citrate Formula: C8H6Na6O13 MolecularWeight: 448.06406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.2CH2O3.6Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*2-1(3)4;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*(H2,2,3,4);;;;;;/q;;;6*+1/p-6