(1-cyano-1-phenyl-butyl) ethaneperoxoate

Systemtic Name: (1-cyano-1-phenyl-butyl) ethaneperoxoate Openeye Name: (1-cyano-1-phenyl-butyl) peroxyacetate CAS Name: ethaneperoxoic acid (1-cyano-1-phenylbutyl) ester IUPAC Name: (1-cyano-1-phenylbutyl) ethaneperoxoate Traditional Name: peracetic acid (1-cyano-1-phenyl-butyl) ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-3-9-13(10-14,17-16-11(2)15)12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3