[1,1,1-tris(fluoranyl)-4-oxidanylidene-decan-2-yl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-4-oxidanylidene-decan-2-yl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: [3-oxo-1-(trifluoromethyl)nonyl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[octyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid (1,1,1-trifluoro-4-oxodecan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-4-oxodecan-2-yl) 4-(5-octylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoic acid [3-keto-1-(trifluoromethyl)nonyl] ester Formula: C38H45F3O6 MolecularWeight: 654.75551

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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(CC(=O)CCCCCC)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C38H45F3O6/c1-3-5-7-9-10-15-25-45-47-37(44)31-23-24-33(28-16-12-11-13-17-28)34(26-31)29-19-21-30(22-20-29)36(43)46-35(38(39,40)41)27-32(42)18-14-8-6-4-2/h11-13,16-17,19-24,26,35H,3-10,14-15,18,25,27H2,1-2H3