tricalcium propane-1,1,3-tricarboxylate

Systemtic Name: tricalcium propane-1,1,3-tricarboxylate Openeye Name: tricalcium propane-1,1,3-tricarboxylate CAS Name: tricalcium propane-1,1,3-tricarboxylate IUPAC Name: tricalcium propane-1,1,3-tricarboxylate Traditional Name: tricalcium propane-1,1,3-tricarboxylate Formula: C12H10Ca3O12 MolecularWeight: 466.4346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O6.3Ca/c2*7-4(8)2-1-3(5(9)10)6(11)12;;;/h2*3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6