tricalcium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; propanoic acid; diphosphate

Systemtic Name: tricalcium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; propanoic acid; diphosphate Openeye Name: tricalcium; citric acid; propionic acid; diphosphate CAS Name: tricalcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; propanoic acid; diphosphate IUPAC Name: tricalcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; propanoic acid; diphosphate Traditional Name: tricalcium; citric acid; propionic acid; diphosphate Formula: C9H14Ca3O17P2 MolecularWeight: 576.378782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CCC(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C6H8O7.C3H6O2.3Ca.2H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3(4)5;;;;2*1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H2,1H3,(H,4,5);;;;2*(H3,1,2,3,4)/q;;3*+2;;/p-6