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

Systemtic Name: (4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-heptylcyclohexa-1,3-dien-1-yl)benzoate Openeye Name: (4-cyanophenyl) 2,6-difluoro-4-(4-heptylcyclohexa-1,3-dien-1-yl)benzoate CAS Name: 2,6-difluoro-4-(4-heptyl-1-cyclohexa-1,3-dienyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,6-difluoro-4-(4-heptylcyclohexa-1,3-dien-1-yl)benzoate Traditional Name: 2,6-difluoro-4-(4-heptylcyclohexa-1,3-dien-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C27H27F2NO2 MolecularWeight: 435.505586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C27H27F2NO2/c1-2-3-4-5-6-7-19-8-12-21(13-9-19)22-16-24(28)26(25(29)17-22)27(31)32-23-14-10-20(18-30)11-15-23/h8,10-12,14-17H,2-7,9,13H2,1H3