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

Systemtic Name: tricalcium 1-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tricalcium 1-hydroxypropane-1,2,3-tricarboxylate CAS Name: tricalcium 1-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: tricalcium 1-hydroxypropane-1,2,3-tricarboxylate Traditional Name: tricalcium 1-hydroxypropane-1,2,3-tricarboxylate Formula: C12H10Ca3O14 MolecularWeight: 498.4334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2*2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;3*+2/p-6