(2-fluoranyl-4-heptyl-phenyl) 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: (2-fluoranyl-4-heptyl-phenyl) 3-fluoranyl-4-octoxy-benzoate Openeye Name: (2-fluoro-4-heptyl-phenyl) 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid (2-fluoro-4-heptylphenyl) ester IUPAC Name: (2-fluoro-4-heptylphenyl) 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid (2-fluoro-4-heptyl-phenyl) ester Formula: C28H38F2O3 MolecularWeight: 460.596326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCCCC)F)F

InChI

InChI=1S/C28H38F2O3/c1-3-5-7-9-11-13-19-32-26-18-16-23(21-25(26)30)28(31)33-27-17-15-22(20-24(27)29)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3