calcium; azane; 2,3-bis(oxidanyl)butanedioate; pentahydrate

Systemtic Name: calcium; azane; 2,3-bis(oxidanyl)butanedioate; pentahydrate Openeye Name: calcium; ammonia; 2,3-dihydroxybutanedioate; pentahydrate CAS Name: calcium; ammonia; 2,3-dihydroxybutanedioate; pentahydrate IUPAC Name: calcium; azane; 2,3-dihydroxybutanedioate; pentahydrate Traditional Name: calcium ammonia tartrate pentahydrate Formula: C4H17CaNO11 MolecularWeight: 295.25588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O6.Ca.H3N.5H2O/c5-1(3(7)8)2(6)4(9)10;;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3;5*1H2/q;+2;;;;;;/p-2