tricalcium 1,2-bis(oxidanyl)propane-1,2,3-tricarboxylate

Systemtic Name: tricalcium 1,2-bis(oxidanyl)propane-1,2,3-tricarboxylate Openeye Name: tricalcium 1,2-dihydroxypropane-1,2,3-tricarboxylate CAS Name: tricalcium 1,2-dihydroxypropane-1,2,3-tricarboxylate IUPAC Name: tricalcium 1,2-dihydroxypropane-1,2,3-tricarboxylate Traditional Name: tricalcium 1,2-dihydroxypropane-1,2,3-tricarboxylate Formula: C12H10Ca3O16 MolecularWeight: 530.4322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O8.3Ca/c2*7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h2*3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;3*+2/p-6