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

Systemtic Name: 1,1,1-tris(fluoranyl)decan-2-yl 2-fluoranyl-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)nonyl 2-fluoro-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 2-fluoro-4-[5-[octyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorodecan-2-yl ester IUPAC Name: 1,1,1-trifluorodecan-2-yl 2-fluoro-4-(5-octylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 2-fluoro-4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)nonyl ester Formula: C38H46F4O5 MolecularWeight: 658.762453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(F)(F)F)OC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)OOCCCCCCCC)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCCCC(C(F)(F)F)OC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)OOCCCCCCCC)C3=CC=CC=C3)F

InChI

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