calcium 2-oxidanylbutanedioate hydrate

Systemtic Name: calcium 2-oxidanylbutanedioate hydrate Openeye Name: calcium 2-hydroxybutanedioate hydrate CAS Name: calcium 2-hydroxybutanedioate hydrate IUPAC Name: calcium 2-hydroxybutanedioate hydrate Traditional Name: calcium 2-hydroxysuccinate hydrate Formula: C4H6CaO6 MolecularWeight: 190.16484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O5.Ca.H2O/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;1H2/q;+2;/p-2