2,3-bis(fluoranyl)-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2,3-bis(fluoranyl)-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C29H42F2O4 MolecularWeight: 492.638186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCC

InChI

InChI=1S/C29H42F2O4/c1-3-5-7-9-11-15-21-34-25-18-14-13-17-24(25)29(35-22-16-12-10-8-6-4-2)20-19-23(28(32)33)26(30)27(29)31/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3,(H,32,33)