[4-(6-methyloctoxy)phenyl] 4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: [4-(6-methyloctoxy)phenyl] 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: [4-(6-methyloctoxy)phenyl] 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid [4-(6-methyloctoxy)phenyl] ester IUPAC Name: [4-(6-methyloctoxy)phenyl] 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid [4-(6-methyloctoxy)phenyl] ester Formula: C36H47FO4 MolecularWeight: 562.754383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H47FO4/c1-4-6-7-8-9-12-26-40-35-24-19-31(27-34(35)37)29-15-17-30(18-16-29)36(38)41-33-22-20-32(21-23-33)39-25-13-10-11-14-28(3)5-2/h15-24,27-28H,4-14,25-26H2,1-3H3