3-(2-fluoranyl-4-heptyl-phenyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid

Systemtic Name: 3-(2-fluoranyl-4-heptyl-phenyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid Openeye Name: 3-(2-fluoro-4-heptyl-phenyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid CAS Name: 3-(2-fluoro-4-heptylphenyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid IUPAC Name: 3-(2-fluoro-4-heptylphenyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid Traditional Name: 3-(2-fluoro-4-heptyl-phenyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid Formula: C34H42F2O3 MolecularWeight: 536.692286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CCCCCCC)F)F

InChI

InChI=1S/C34H42F2O3/c1-3-5-7-9-11-13-21-39-33-20-17-26(24-32(33)36)28-19-16-27(34(37)38)23-30(28)29-18-15-25(22-31(29)35)14-12-10-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3,(H,37,38)