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

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(2-phenyl-5-undecylperoxycarbonyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(2-phenyl-5-undecylperoxycarbonyl-phenyl)benzoate CAS Name: 4-[5-[oxo(undecyldioxy)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(2-phenyl-5-undecylperoxycarbonylphenyl)benzoate Traditional Name: 4-(2-phenyl-5-undecylperoxycarbonyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C39H49F3O5 MolecularWeight: 654.79857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H49F3O5/c1-3-5-7-9-10-11-12-13-18-28-45-47-38(44)33-26-27-34(30-19-15-14-16-20-30)35(29-33)31-22-24-32(25-23-31)37(43)46-36(39(40,41)42)21-17-8-6-4-2/h14-16,19-20,22-27,29,36H,3-13,17-18,21,28H2,1-2H3