tricalcium; copper(1+); 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tricalcium; copper(1+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tricalcium tricuprous dicitrate CAS Name: tricalcium; copper(1+); 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: tricalcium; copper(1+); 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: tricalcium tricuprous dicitrate Formula: C12H10Ca3Cu3O14+3 MolecularWeight: 689.0714

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

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

InChI

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