calcium; 2-oxidanylbutanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: calcium; 2-oxidanylbutanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: calcium 2-hydroxybutanedioate citrate CAS Name: calcium; 2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: calcium; 2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: calcium 2-hydroxysuccinate citrate Formula: C10H9CaO12-3 MolecularWeight: 361.24926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C4H6O5.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);/q;;+2/p-5