calcium 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: calcium 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: calcium citric acid CAS Name: calcium 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: calcium 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: calcium citric acid Formula: C12H16CaO14+2 MolecularWeight: 424.32504

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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.[Ca+2]

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.[Ca+2]

InChI

InChI=1S/2C6H8O7.Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+2