(1-cyano-1,4-diphenyl-pentyl) ethaneperoxoate

Systemtic Name: (1-cyano-1,4-diphenyl-pentyl) ethaneperoxoate Openeye Name: (1-cyano-1,4-diphenyl-pentyl) peroxyacetate CAS Name: ethaneperoxoic acid (1-cyano-1,4-diphenylpentyl) ester IUPAC Name: (1-cyano-1,4-diphenylpentyl) ethaneperoxoate Traditional Name: peracetic acid (1-cyano-1,4-diphenyl-pentyl) ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C#N)(C1=CC=CC=C1)OOC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(CCC(C#N)(C1=CC=CC=C1)OOC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO3/c1-16(18-9-5-3-6-10-18)13-14-20(15-21,24-23-17(2)22)19-11-7-4-8-12-19/h3-12,16H,13-14H2,1-2H3