heptyl 2-fluoranyl-3-(2-fluoranyl-4-octyl-phenyl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: heptyl 2-fluoranyl-3-(2-fluoranyl-4-octyl-phenyl)-4-phenyl-benzenecarboperoxoate Openeye Name: heptyl 2-fluoro-3-(2-fluoro-4-octyl-phenyl)-4-phenyl-benzenecarboperoxoate CAS Name: 2-fluoro-3-(2-fluoro-4-octylphenyl)-4-phenylbenzenecarboperoxoic acid heptyl ester IUPAC Name: heptyl 2-fluoro-3-(2-fluoro-4-octylphenyl)-4-phenylbenzenecarboperoxoate Traditional Name: 2-fluoro-3-(2-fluoro-4-octyl-phenyl)-4-phenyl-benzenecarboperoxoic acid heptyl ester Formula: C34H42F2O3 MolecularWeight: 536.692286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C2=C(C=CC(=C2F)C(=O)OOCCCCCCC)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C2=C(C=CC(=C2F)C(=O)OOCCCCCCC)C3=CC=CC=C3)F

InChI

InChI=1S/C34H42F2O3/c1-3-5-7-9-10-13-17-26-20-21-29(31(35)25-26)32-28(27-18-14-12-15-19-27)22-23-30(33(32)36)34(37)39-38-24-16-11-8-6-4-2/h12,14-15,18-23,25H,3-11,13,16-17,24H2,1-2H3