(4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-hexylcyclohexa-1,3-dien-1-yl)benzoate

Systemtic Name: (4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-hexylcyclohexa-1,3-dien-1-yl)benzoate Openeye Name: (4-cyanophenyl) 2,6-difluoro-4-(4-hexylcyclohexa-1,3-dien-1-yl)benzoate CAS Name: 2,6-difluoro-4-(4-hexyl-1-cyclohexa-1,3-dienyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,6-difluoro-4-(4-hexylcyclohexa-1,3-dien-1-yl)benzoate Traditional Name: 2,6-difluoro-4-(4-hexylcyclohexa-1,3-dien-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C26H25F2NO2 MolecularWeight: 421.479006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C26H25F2NO2/c1-2-3-4-5-6-18-7-11-20(12-8-18)21-15-23(27)25(24(28)16-21)26(30)31-22-13-9-19(17-29)10-14-22/h7,9-11,13-16H,2-6,8,12H2,1H3