calcium 2-oxidanylbutanedioate dihydrate

Systemtic Name: calcium 2-oxidanylbutanedioate dihydrate Openeye Name: calcium 2-hydroxybutanedioate dihydrate CAS Name: calcium 2-hydroxybutanedioate dihydrate IUPAC Name: calcium 2-hydroxybutanedioate dihydrate Traditional Name: calcium 2-hydroxysuccinate dihydrate Formula: C4H8CaO7 MolecularWeight: 208.18012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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