1,1,1-tris(fluoranyl)octan-2-yl 2-fluoranyl-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 2-fluoranyl-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 2-fluoro-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 2-fluoro-4-[5-[octyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 2-fluoro-4-(5-octylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 2-fluoro-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C36H42F4O5 MolecularWeight: 630.709293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F)F

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F)F

InChI

InChI=1S/C36H42F4O5/c1-3-5-7-9-10-15-23-43-45-34(41)28-20-21-29(26-16-12-11-13-17-26)31(24-28)27-19-22-30(32(37)25-27)35(42)44-33(36(38,39)40)18-14-8-6-4-2/h11-13,16-17,19-22,24-25,33H,3-10,14-15,18,23H2,1-2H3