calcium 2-oxidanylpropane-1,2,3-tricarboxylate tetrahydrate

Systemtic Name: calcium 2-oxidanylpropane-1,2,3-tricarboxylate tetrahydrate Openeye Name: calcium citrate tetrahydrate CAS Name: calcium 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate IUPAC Name: calcium 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate Traditional Name: calcium citrate tetrahydrate Formula: C6H13CaO11- MolecularWeight: 301.23882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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