1-(2-cyanophenyl)octyl benzenecarboperoxoate

Systemtic Name: 1-(2-cyanophenyl)octyl benzenecarboperoxoate Openeye Name: 1-(2-cyanophenyl)octyl benzenecarboperoxoate CAS Name: benzenecarboperoxoic acid 1-(2-cyanophenyl)octyl ester IUPAC Name: 1-(2-cyanophenyl)octyl benzenecarboperoxoate Traditional Name: benzenecarboperoxoic acid 1-(2-cyanophenyl)octyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1C#N)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1C#N)OOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO3/c1-2-3-4-5-9-16-21(20-15-11-10-14-19(20)17-23)25-26-22(24)18-12-7-6-8-13-18/h6-8,10-15,21H,2-5,9,16H2,1H3