[4-(2-fluoranyl-2-methyl-heptanoyl)oxyphenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(2-fluoranyl-2-methyl-heptanoyl)oxyphenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(2-fluoro-2-methyl-heptanoyl)oxyphenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-fluoro-2-methyl-1-oxoheptoxy)phenyl] ester IUPAC Name: [4-(2-fluoro-2-methylheptanoyl)oxyphenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-fluoro-2-methyl-heptanoyl)oxyphenyl] ester Formula: C35H43FO5 MolecularWeight: 562.711323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

InChI

InChI=1S/C35H43FO5/c1-4-6-8-9-10-12-26-39-30-19-17-28(18-20-30)27-13-15-29(16-14-27)33(37)40-31-21-23-32(24-22-31)41-34(38)35(3,36)25-11-7-5-2/h13-24H,4-12,25-26H2,1-3H3