calcium; trisodium; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: calcium; trisodium; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: calcium trisodium hydrogen carbonate citrate CAS Name: calcium; trisodium; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: calcium; trisodium; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: calcium trisodium dibicarbonate citrate Formula: C8H7CaNa3O13 MolecularWeight: 420.18069

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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+].[Ca+2]

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+].[Ca+2]

InChI

InChI=1S/C6H8O7.2CH2O3.Ca.3Na/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;;;+2;3*+1/p-5