[(1E,12E)-octadeca-1,12-dienyl] 4-phenylbenzenecarboperoxoate

Systemtic Name: [(1E,12E)-octadeca-1,12-dienyl] 4-phenylbenzenecarboperoxoate Openeye Name: [(1E,12E)-octadeca-1,12-dienyl] 4-phenylbenzenecarboperoxoate CAS Name: 4-phenylbenzenecarboperoxoic acid [(1E,12E)-octadeca-1,12-dienyl] ester IUPAC Name: [(1E,12E)-octadeca-1,12-dienyl] 4-phenylbenzenecarboperoxoate Traditional Name: 4-phenylbenzenecarboperoxoic acid [(1E,12E)-octadeca-1,12-dienyl] ester Formula: C31H42O3 MolecularWeight: 462.66338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCCCCCCCCC=COOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/CCCCCCCCC/C=C/OOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C31H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-33-34-31(32)30-25-23-29(24-26-30)28-21-18-17-19-22-28/h6-7,17-27H,2-5,8-16H2,1H3/b7-6+,27-20+