[1-chloranyl-1,1-bis(fluoranyl)-4-phenyl-butan-2-yl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate

Systemtic Name: [1-chloranyl-1,1-bis(fluoranyl)-4-phenyl-butan-2-yl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate Openeye Name: [1-[chloro(difluoro)methyl]-3-phenyl-propyl] 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoate CAS Name: 4-[5-[octyldioxy(oxo)methyl]-2-phenylphenyl]benzoic acid (1-chloro-1,1-difluoro-4-phenylbutan-2-yl) ester IUPAC Name: (1-chloro-1,1-difluoro-4-phenylbutan-2-yl) 4-(5-octylperoxycarbonyl-2-phenylphenyl)benzoate Traditional Name: 4-(5-octylperoxycarbonyl-2-phenyl-phenyl)benzoic acid [1-[chloro(difluoro)methyl]-3-phenyl-propyl] ester Formula: C38H39ClF2O5 MolecularWeight: 649.163066

Click to see the large picture

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(CCC4=CC=CC=C4)C(F)(F)Cl

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC(CCC4=CC=CC=C4)C(F)(F)Cl

InChI

InChI=1S/C38H39ClF2O5/c1-2-3-4-5-6-13-26-44-46-37(43)32-23-24-33(29-16-11-8-12-17-29)34(27-32)30-19-21-31(22-20-30)36(42)45-35(38(39,40)41)25-18-28-14-9-7-10-15-28/h7-12,14-17,19-24,27,35H,2-6,13,18,25-26H2,1H3