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

Systemtic Name: tripotassium 2-oxidanylpropane-1,2,3-tricarboxylic acid phosphate Openeye Name: tripotassium citric acid phosphate CAS Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylic acid phosphate IUPAC Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylic acid phosphate Traditional Name: tripotassium citric acid phosphate Formula: C18H24K3O25P MolecularWeight: 788.636821

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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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+]

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-].[K+].[K+].[K+]

InChI

InChI=1S/3C6H8O7.3K.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