(4-pentylphenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-fluoro-4-octyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-fluoro-4-octylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octyl-phenyl)benzoic acid (4-amylphenyl) ester Formula: C32H39FO2 MolecularWeight: 474.649263

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=CC=C(C=C3)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C32H39FO2/c1-3-5-7-8-9-11-13-27-18-21-29(24-31(27)33)26-16-19-28(20-17-26)32(34)35-30-22-14-25(15-23-30)12-10-6-4-2/h14-24H,3-13H2,1-2H3