(2-fluoranyl-4-pentyl-phenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate Openeye Name: (2-fluoro-4-pentyl-phenyl) 4-(3-fluoro-4-octyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octylphenyl)benzoic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 4-(3-fluoro-4-octylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octyl-phenyl)benzoic acid (4-amyl-2-fluoro-phenyl) ester Formula: C32H38F2O2 MolecularWeight: 492.639726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C32H38F2O2/c1-3-5-7-8-9-11-13-26-17-20-28(23-29(26)33)25-15-18-27(19-16-25)32(35)36-31-21-14-24(22-30(31)34)12-10-6-4-2/h14-23H,3-13H2,1-2H3