1,1,1-tris(fluoranyl)octan-2-yl 4-(3-decylperoxycarbonyl-2-fluoranyl-6-phenyl-phenyl)benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(3-decylperoxycarbonyl-2-fluoranyl-6-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(3-decylperoxycarbonyl-2-fluoro-6-phenyl-phenyl)benzoate CAS Name: 4-[3-[decyldioxy(oxo)methyl]-2-fluoro-6-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(3-decylperoxycarbonyl-2-fluoro-6-phenylphenyl)benzoate Traditional Name: 4-(3-decylperoxycarbonyl-2-fluoro-6-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C38H46F4O5 MolecularWeight: 658.762453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H46F4O5/c1-3-5-7-9-10-11-12-17-27-45-47-37(44)32-26-25-31(28-18-14-13-15-19-28)34(35(32)39)29-21-23-30(24-22-29)36(43)46-33(38(40,41)42)20-16-8-6-4-2/h13-15,18-19,21-26,33H,3-12,16-17,20,27H2,1-2H3