(4-propylphenyl) 4-(2-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-propylphenyl) 4-(2-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-propylphenyl) 4-(2-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-pentylphenyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-(2-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-2-fluoro-phenyl)benzoic acid (4-propylphenyl) ester Formula: C27H29FO2 MolecularWeight: 404.516363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F

InChI

InChI=1S/C27H29FO2/c1-3-5-6-8-21-11-18-25(26(28)19-21)22-12-14-23(15-13-22)27(29)30-24-16-9-20(7-4-2)10-17-24/h9-19H,3-8H2,1-2H3