octyl 4-phenyl-3-[1,1,1-tris(fluoranyl)octan-2-yl]benzenecarboperoxoate

Systemtic Name: octyl 4-phenyl-3-[1,1,1-tris(fluoranyl)octan-2-yl]benzenecarboperoxoate Openeye Name: octyl 4-phenyl-3-[1-(trifluoromethyl)heptyl]benzenecarboperoxoate CAS Name: 4-phenyl-3-(1,1,1-trifluorooctan-2-yl)benzenecarboperoxoic acid octyl ester IUPAC Name: octyl 4-phenyl-3-(1,1,1-trifluorooctan-2-yl)benzenecarboperoxoate Traditional Name: 4-phenyl-3-[1-(trifluoromethyl)heptyl]benzenecarboperoxoic acid octyl ester Formula: C29H39F3O3 MolecularWeight: 492.61337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F3O3/c1-3-5-7-9-10-15-21-34-35-28(33)24-19-20-25(23-16-12-11-13-17-23)26(22-24)27(29(30,31)32)18-14-8-6-4-2/h11-13,16-17,19-20,22,27H,3-10,14-15,18,21H2,1-2H3