tricalcium; 2-oxidanylpropane-1,2,3-tricarboxylate; oxygen(2-)

Systemtic Name: tricalcium; 2-oxidanylpropane-1,2,3-tricarboxylate; oxygen(2-) Openeye Name: tricalcium oxygen(2-) dicitrate CAS Name: tricalcium; 2-hydroxypropane-1,2,3-tricarboxylate; oxygen(2-) IUPAC Name: tricalcium; 2-hydroxypropane-1,2,3-tricarboxylate; oxygen(2-) Traditional Name: tricalcium oxygen(2-) dicitrate Formula: C12H10Ca3O15-2 MolecularWeight: 514.4328

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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.[O-2].[Ca+2].[Ca+2].[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.[O-2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C6H8O7.3Ca.O/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;;3*+2;-2/p-6