tricalcium 2-oxidanylpropane-1,2,3-tricarboxylate trihydrate

Systemtic Name: tricalcium 2-oxidanylpropane-1,2,3-tricarboxylate trihydrate Openeye Name: tricalcium citrate trihydrate CAS Name: tricalcium 2-hydroxypropane-1,2,3-tricarboxylate trihydrate IUPAC Name: tricalcium 2-hydroxypropane-1,2,3-tricarboxylate trihydrate Traditional Name: tricalcium citrate trihydrate Formula: C6H11Ca3O10+3 MolecularWeight: 363.37954

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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.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.3Ca.3H2O/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);;;;3*1H2/q;3*+2;;;/p-3