calcium (2R,3S)-2,3-bis(oxidanyl)butanedioate trihydrate

Systemtic Name: calcium (2R,3S)-2,3-bis(oxidanyl)butanedioate trihydrate Openeye Name: calcium (2R,3S)-2,3-dihydroxybutanedioate trihydrate CAS Name: calcium (2R,3S)-2,3-dihydroxybutanedioate trihydrate IUPAC Name: calcium (2R,3S)-2,3-dihydroxybutanedioate trihydrate Traditional Name: calcium (2R,3S)-2,3-dihydroxysuccinate trihydrate Formula: C4H10CaO9 MolecularWeight: 242.1948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O6.Ca.3H2O/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;3*1H2/q;+2;;;/p-2/t1-,2+;;;;