2-(2-fluoranyl-4-pentyl-phenyl)-4-octoxy-benzoic acid

Systemtic Name: 2-(2-fluoranyl-4-pentyl-phenyl)-4-octoxy-benzoic acid Openeye Name: 2-(2-fluoro-4-pentyl-phenyl)-4-octoxy-benzoic acid CAS Name: 2-(2-fluoro-4-pentylphenyl)-4-octoxybenzoic acid IUPAC Name: 2-(2-fluoro-4-pentylphenyl)-4-octoxybenzoic acid Traditional Name: 2-(4-amyl-2-fluoro-phenyl)-4-octoxy-benzoic acid Formula: C26H35FO3 MolecularWeight: 414.552703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)O)C2=C(C=C(C=C2)CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)O)C2=C(C=C(C=C2)CCCCC)F

InChI

InChI=1S/C26H35FO3/c1-3-5-7-8-9-11-17-30-21-14-16-23(26(28)29)24(19-21)22-15-13-20(18-25(22)27)12-10-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,28,29)