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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexylphenyl)benzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-hexylphenyl)benzoate CAS Name: 4-(4-hexylphenyl)benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-hexylphenyl)benzoate Traditional Name: 4-(4-hexylphenyl)benzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C26H23F2NO2 MolecularWeight: 419.463126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C26H23F2NO2/c1-2-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(30)31-23-16-15-22(17-29)24(27)25(23)28/h7-16H,2-6H2,1H3