[4-cyano-2,3-bis(fluoranyl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-hexylbenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C20H19F2NO2 MolecularWeight: 343.367166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C20H19F2NO2/c1-2-3-4-5-6-14-7-9-15(10-8-14)20(24)25-17-12-11-16(13-23)18(21)19(17)22/h7-12H,2-6H2,1H3