octyl 3-octan-2-yl-4-phenyl-benzenecarboperoxoate

Systemtic Name: octyl 3-octan-2-yl-4-phenyl-benzenecarboperoxoate Openeye Name: octyl 3-(1-methylheptyl)-4-phenyl-benzenecarboperoxoate CAS Name: 3-octan-2-yl-4-phenylbenzenecarboperoxoic acid octyl ester IUPAC Name: octyl 3-octan-2-yl-4-phenylbenzenecarboperoxoate Traditional Name: 3-(1-methylheptyl)-4-phenyl-benzenecarboperoxoic acid octyl ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)CCCCCC

InChI

InChI=1S/C29H42O3/c1-4-6-8-10-11-16-22-31-32-29(30)26-20-21-27(25-18-14-12-15-19-25)28(23-26)24(3)17-13-9-7-5-2/h12,14-15,18-21,23-24H,4-11,13,16-17,22H2,1-3H3