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

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(5-dodecylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(5-dodecylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[dodecyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(5-dodecylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-laurylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C40H51F3O5 MolecularWeight: 668.82515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOOC(=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

CCCCCCCCCCCCOOC(=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/C40H51F3O5/c1-3-5-7-9-10-11-12-13-14-19-29-46-48-39(45)34-27-28-35(31-20-16-15-17-21-31)36(30-34)32-23-25-33(26-24-32)38(44)47-37(40(41,42)43)22-18-8-6-4-2/h15-17,20-21,23-28,30,37H,3-14,18-19,22,29H2,1-2H3