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

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(5-hexylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(5-hexylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[hexyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(5-hexylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-hexylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C34H39F3O5 MolecularWeight: 584.66567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OOCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OOCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C34H39F3O5/c1-3-5-7-12-16-31(34(35,36)37)41-32(38)27-19-17-26(18-20-27)30-24-28(33(39)42-40-23-13-8-6-4-2)21-22-29(30)25-14-10-9-11-15-25/h9-11,14-15,17-22,24,31H,3-8,12-13,16,23H2,1-2H3