sodium ethanenitrile ethanoate trihydrate

Systemtic Name: sodium ethanenitrile ethanoate trihydrate Openeye Name: sodium acetonitrile acetate trihydrate CAS Name: sodium acetonitrile acetate trihydrate IUPAC Name: sodium acetonitrile acetate trihydrate Traditional Name: sodium acetonitrile acetate trihydrate Formula: C4H12NNaO5 MolecularWeight: 177.13155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(=O)[O-].O.O.O.[Na+]

Isomeric SMILES

CC#N.CC(=O)[O-].O.O.O.[Na+]

InChI

InChI=1S/C2H3N.C2H4O2.Na.3H2O/c1-2-3;1-2(3)4;;;;/h1H3;1H3,(H,3,4);;3*1H2/q;;+1;;;/p-1