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

Systemtic Name: (4-cyanophenyl) 2,6-bis(fluoranyl)-4-(4-nonylcyclohexa-1,3-dien-1-yl)benzoate Openeye Name: (4-cyanophenyl) 2,6-difluoro-4-(4-nonylcyclohexa-1,3-dien-1-yl)benzoate CAS Name: 2,6-difluoro-4-(4-nonyl-1-cyclohexa-1,3-dienyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,6-difluoro-4-(4-nonylcyclohexa-1,3-dien-1-yl)benzoate Traditional Name: 2,6-difluoro-4-(4-nonylcyclohexa-1,3-dien-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C29H31F2NO2 MolecularWeight: 463.558746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C29H31F2NO2/c1-2-3-4-5-6-7-8-9-21-10-14-23(15-11-21)24-18-26(30)28(27(31)19-24)29(33)34-25-16-12-22(20-32)13-17-25/h10,12-14,16-19H,2-9,11,15H2,1H3