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

Systemtic Name: [2,3-bis(fluoranyl)-4-heptyl-phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: (2,3-difluoro-4-heptyl-phenyl) 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid (2,3-difluoro-4-heptylphenyl) ester IUPAC Name: (2,3-difluoro-4-heptylphenyl) 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid (2,3-difluoro-4-heptyl-phenyl) ester Formula: C27H35F3O2 MolecularWeight: 448.56081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)CCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)CCCCCCC)F)F)F

InChI

InChI=1S/C27H35F3O2/c1-3-5-7-9-11-13-20-15-17-22(23(28)19-20)27(31)32-24-18-16-21(25(29)26(24)30)14-12-10-8-6-4-2/h15-19H,3-14H2,1-2H3