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

Systemtic Name: (4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoate Openeye Name: (4-cyanophenyl) 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoate CAS Name: 2,6-difluoro-4-(4-octyl-1-cyclohexa-1,3-dienyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoate Traditional Name: 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C28H29F2NO2 MolecularWeight: 449.532166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C28H29F2NO2/c1-2-3-4-5-6-7-8-20-9-13-22(14-10-20)23-17-25(29)27(26(30)18-23)28(32)33-24-15-11-21(19-31)12-16-24/h9,11-13,15-18H,2-8,10,14H2,1H3