3-fluoranyl-2-[4-(2-methyloctanoyl)phenyl]-4-(4-octoxyphenyl)benzoic acid

Systemtic Name: 3-fluoranyl-2-[4-(2-methyloctanoyl)phenyl]-4-(4-octoxyphenyl)benzoic acid Openeye Name: 3-fluoro-2-[4-(2-methyloctanoyl)phenyl]-4-(4-octoxyphenyl)benzoic acid CAS Name: 3-fluoro-2-[4-(2-methyl-1-oxooctyl)phenyl]-4-(4-octoxyphenyl)benzoic acid IUPAC Name: 3-fluoro-2-[4-(2-methyloctanoyl)phenyl]-4-(4-octoxyphenyl)benzoic acid Traditional Name: 3-fluoro-2-[4-(2-methyloctanoyl)phenyl]-4-(4-octoxyphenyl)benzoic acid Formula: C36H45FO4 MolecularWeight: 560.738503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)C(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)C(C)CCCCCC)F

InChI

InChI=1S/C36H45FO4/c1-4-6-8-10-11-13-25-41-30-21-19-27(20-22-30)31-23-24-32(36(39)40)33(34(31)37)28-15-17-29(18-16-28)35(38)26(3)14-12-9-7-5-2/h15-24,26H,4-14,25H2,1-3H3,(H,39,40)