calcium (2S)-2-azaniumylbutanedioate trihydrate

Systemtic Name: calcium (2S)-2-azaniumylbutanedioate trihydrate Openeye Name: calcium (2S)-2-azaniumylbutanedioate trihydrate CAS Name: calcium (2S)-2-ammoniobutanedioate trihydrate IUPAC Name: calcium (2S)-2-azaniumylbutanedioate trihydrate Traditional Name: calcium (2S)-2-ammoniosuccinate trihydrate Formula: C8H18CaN2O11 MolecularWeight: 358.31332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])[NH3+])C(=O)[O-].C(C(C(=O)[O-])[NH3+])C(=O)[O-].O.O.O.[Ca+2]

Isomeric SMILES

C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-].C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-].O.O.O.[Ca+2]

InChI

InChI=1S/2C4H7NO4.Ca.3H2O/c2*5-2(4(8)9)1-3(6)7;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;3*1H2/q;;+2;;;/p-2/t2*2-;;;;/m00..../s1