2,6-bis(fluoranyl)-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid Openeye Name: 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid CAS Name: 2,6-difluoro-4-(4-octyl-1-cyclohexa-1,3-dienyl)benzoic acid IUPAC Name: 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid Traditional Name: 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoic acid Formula: C21H26F2O2 MolecularWeight: 348.426746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)O)F

Isomeric SMILES

CCCCCCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)O)F

InChI

InChI=1S/C21H26F2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17-13-18(22)20(21(24)25)19(23)14-17/h9,11,13-14H,2-8,10,12H2,1H3,(H,24,25)