1-fluoranyl-6-(4-octylphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-fluoranyl-6-(4-octylphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-fluoro-6-(4-octylphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-fluoro-6-(4-octylphenyl)-3-(2-pentylphenyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-fluoro-6-(4-octylphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 3-(2-amylphenyl)-1-fluoro-6-(4-octylphenyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C32H41FO2 MolecularWeight: 476.665143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2C=CC(=CC2(C(=O)O)F)C3=CC=CC=C3CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2C=CC(=CC2(C(=O)O)F)C3=CC=CC=C3CCCCC

InChI

InChI=1S/C32H41FO2/c1-3-5-7-8-9-11-14-25-18-20-27(21-19-25)30-23-22-28(24-32(30,33)31(34)35)29-17-13-12-16-26(29)15-10-6-4-2/h12-13,16-24,30H,3-11,14-15H2,1-2H3,(H,34,35)