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

Systemtic Name: heptyl 2-fluoranyl-3-(2-fluoranyl-4-heptyl-phenyl)-4-phenyl-benzenecarboperoxoate Openeye Name: heptyl 2-fluoro-3-(2-fluoro-4-heptyl-phenyl)-4-phenyl-benzenecarboperoxoate CAS Name: 2-fluoro-3-(2-fluoro-4-heptylphenyl)-4-phenylbenzenecarboperoxoic acid heptyl ester IUPAC Name: heptyl 2-fluoro-3-(2-fluoro-4-heptylphenyl)-4-phenylbenzenecarboperoxoate Traditional Name: 2-fluoro-3-(2-fluoro-4-heptyl-phenyl)-4-phenyl-benzenecarboperoxoic acid heptyl ester Formula: C33H40F2O3 MolecularWeight: 522.665706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=C(C=CC(=C2F)C(=O)OOCCCCCCC)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=C(C=CC(=C2F)C(=O)OOCCCCCCC)C3=CC=CC=C3)F

InChI

InChI=1S/C33H40F2O3/c1-3-5-7-9-12-16-25-19-20-28(30(34)24-25)31-27(26-17-13-11-14-18-26)21-22-29(32(31)35)33(36)38-37-23-15-10-8-6-4-2/h11,13-14,17-22,24H,3-10,12,15-16,23H2,1-2H3