calcium 2-oxidanylidenepropanoate trihydrate

Systemtic Name: calcium 2-oxidanylidenepropanoate trihydrate Openeye Name: calcium 2-oxopropanoate trihydrate CAS Name: calcium 2-oxopropanoate trihydrate IUPAC Name: calcium 2-oxopropanoate trihydrate Traditional Name: calcium pyruvate trihydrate Formula: C3H9CaO6+ MolecularWeight: 181.17796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H4O3.Ca.3H2O/c1-2(4)3(5)6;;;;/h1H3,(H,5,6);;3*1H2/q;+2;;;/p-1