(1-cyano-1-phenyl-octyl) ethaneperoxoate

Systemtic Name: (1-cyano-1-phenyl-octyl) ethaneperoxoate Openeye Name: (1-cyano-1-phenyl-octyl) peroxyacetate CAS Name: ethaneperoxoic acid (1-cyano-1-phenyloctyl) ester IUPAC Name: (1-cyano-1-phenyloctyl) ethaneperoxoate Traditional Name: peracetic acid (1-cyano-1-phenyl-octyl) ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-3-4-5-6-10-13-17(14-18,21-20-15(2)19)16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13H2,1-2H3