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

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(5-nonylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(5-nonylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[nonyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(5-nonylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-nonylperoxycarbonyl-2-phenyl-phenyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C37H45F3O5 MolecularWeight: 626.74541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H45F3O5/c1-3-5-7-9-10-11-16-26-43-45-36(42)31-24-25-32(28-17-13-12-14-18-28)33(27-31)29-20-22-30(23-21-29)35(41)44-34(37(38,39)40)19-15-8-6-4-2/h12-14,17-18,20-25,27,34H,3-11,15-16,19,26H2,1-2H3