[2,3-bis(fluoranyl)-4-octyl-phenyl] 2-fluoranyl-4-pentyl-benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-octyl-phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: (2,3-difluoro-4-octyl-phenyl) 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid (2,3-difluoro-4-octylphenyl) ester IUPAC Name: (2,3-difluoro-4-octylphenyl) 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid (2,3-difluoro-4-octyl-phenyl) ester Formula: C26H33F3O2 MolecularWeight: 434.53423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

InChI

InChI=1S/C26H33F3O2/c1-3-5-7-8-9-11-13-20-15-17-23(25(29)24(20)28)31-26(30)21-16-14-19(18-22(21)27)12-10-6-4-2/h14-18H,3-13H2,1-2H3