(1-cyano-4,4-dimethyl-1-phenyl-pentyl) ethaneperoxoate

Systemtic Name: (1-cyano-4,4-dimethyl-1-phenyl-pentyl) ethaneperoxoate Openeye Name: (1-cyano-4,4-dimethyl-1-phenyl-pentyl) peroxyacetate CAS Name: ethaneperoxoic acid (1-cyano-4,4-dimethyl-1-phenylpentyl) ester IUPAC Name: (1-cyano-4,4-dimethyl-1-phenylpentyl) ethaneperoxoate Traditional Name: peracetic acid (1-cyano-4,4-dimethyl-1-phenyl-pentyl) ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(CCC(C)(C)C)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(=O)OOC(CCC(C)(C)C)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO3/c1-13(18)19-20-16(12-17,11-10-15(2,3)4)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3