dicalcium; 2-(carboxymethyl)-2-oxidanyl-butanedioate; 2-oxidanylbutanedioate

Systemtic Name: dicalcium; 2-(carboxymethyl)-2-oxidanyl-butanedioate; 2-oxidanylbutanedioate Openeye Name: dicalcium; 2-(carboxymethyl)-2-hydroxy-butanedioate; 2-hydroxybutanedioate CAS Name: dicalcium; 2-(carboxymethyl)-2-hydroxybutanedioate; 2-hydroxybutanedioate IUPAC Name: dicalcium; 2-(carboxymethyl)-2-hydroxybutanedioate; 2-hydroxybutanedioate Traditional Name: dicalcium; 2-(carboxymethyl)-2-hydroxy-succinate; 2-hydroxysuccinate Formula: C10H10Ca2O12 MolecularWeight: 402.3352

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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].[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].[Ca+2]

InChI

InChI=1S/C6H8O7.C4H6O5.2Ca/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*+2/p-4