calcium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; propanoate; trihydrate

Systemtic Name: calcium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; propanoate; trihydrate Openeye Name: calcium; citric acid; propanoate; trihydrate CAS Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; propanoate; trihydrate IUPAC Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; propanoate; trihydrate Traditional Name: calcium; citric acid; propionate; trihydrate Formula: C12H24CaO14 MolecularWeight: 432.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.2C3H6O2.Ca.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-2-3(4)5;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*2H2,1H3,(H,4,5);;3*1H2/q;;;+2;;;/p-2