(cyano-cyclohexyl-phenyl-methyl) ethaneperoxoate

Systemtic Name: (cyano-cyclohexyl-phenyl-methyl) ethaneperoxoate Openeye Name: (cyano-cyclohexyl-phenyl-methyl) peroxyacetate CAS Name: ethaneperoxoic acid (cyano-cyclohexyl-phenylmethyl) ester IUPAC Name: (cyano-cyclohexyl-phenylmethyl) ethaneperoxoate Traditional Name: peracetic acid (cyano-cyclohexyl-phenyl-methyl) ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(C#N)(C1CCCCC1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OOC(C#N)(C1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3/c1-13(18)19-20-16(12-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3