trisodium 2-oxidanylpropane-1,2,3-tricarboxylic acid phosphate

Systemtic Name: trisodium 2-oxidanylpropane-1,2,3-tricarboxylic acid phosphate Openeye Name: trisodium citric acid phosphate CAS Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylic acid phosphate IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylic acid phosphate Traditional Name: trisodium citric acid phosphate Formula: C18H24Na3O25P MolecularWeight: 740.311231

Click to see the large picture

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.[O-]P(=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.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C6H8O7.3Na.H3O4P/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;1-5(2,3)4/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;(H3,1,2,3,4)/q;;;3*+1;/p-3