ethanenitrile; methyl hydrogen sulfate

Systemtic Name: ethanenitrile; methyl hydrogen sulfate Openeye Name: acetonitrile; methyl hydrogen sulfate CAS Name: acetonitrile; sulfuric acid methyl ester IUPAC Name: acetonitrile; methyl hydrogen sulfate Traditional Name: acetonitrile; sulfuric acid methyl ester Formula: C3H7NO4S MolecularWeight: 153.15698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.COS(=O)(=O)O

Isomeric SMILES

CC#N.COS(=O)(=O)O

InChI

InChI=1S/C2H3N.CH4O4S/c1-2-3;1-5-6(2,3)4/h1H3;1H3,(H,2,3,4)