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

Systemtic Name: 1,1,1-tris(fluoranyl)decan-2-yl 4-(5-nonanoylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)nonyl 4-(5-nonanoylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[oxo(1-oxononyldioxy)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorodecan-2-yl ester IUPAC Name: 1,1,1-trifluorodecan-2-yl 4-(5-nonanoylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-pelargonylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)nonyl ester Formula: C39H47F3O6 MolecularWeight: 668.78209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H47F3O6/c1-3-5-7-9-11-16-20-35(39(40,41)42)46-37(44)31-24-22-30(23-25-31)34-28-32(26-27-33(34)29-18-14-13-15-19-29)38(45)48-47-36(43)21-17-12-10-8-6-4-2/h13-15,18-19,22-28,35H,3-12,16-17,20-21H2,1-2H3