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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-heptylbenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C21H21F2NO2 MolecularWeight: 357.393746

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)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C21H21F2NO2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)21(25)26-18-13-12-17(14-24)19(22)20(18)23/h8-13H,2-7H2,1H3