octyl 3-(1-cyano-2-methyl-propyl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: octyl 3-(1-cyano-2-methyl-propyl)-4-phenyl-benzenecarboperoxoate Openeye Name: octyl 3-(1-cyano-2-methyl-propyl)-4-phenyl-benzenecarboperoxoate CAS Name: 3-(1-cyano-2-methylpropyl)-4-phenylbenzenecarboperoxoic acid octyl ester IUPAC Name: octyl 3-(1-cyano-2-methylpropyl)-4-phenylbenzenecarboperoxoate Traditional Name: 3-(1-cyano-2-methyl-propyl)-4-phenyl-benzenecarboperoxoic acid octyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C#N)C(C)C

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C#N)C(C)C

InChI

InChI=1S/C26H33NO3/c1-4-5-6-7-8-12-17-29-30-26(28)22-15-16-23(21-13-10-9-11-14-21)24(18-22)25(19-27)20(2)3/h9-11,13-16,18,20,25H,4-8,12,17H2,1-3H3