(4-pentylphenyl) 3-fluoranyl-4-(4-octoxyphenyl)benzoate

Systemtic Name: (4-pentylphenyl) 3-fluoranyl-4-(4-octoxyphenyl)benzoate Openeye Name: (4-pentylphenyl) 3-fluoro-4-(4-octoxyphenyl)benzoate CAS Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-fluoro-4-(4-octoxyphenyl)benzoate Traditional Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid (4-amylphenyl) ester Formula: C32H39FO3 MolecularWeight: 490.648663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H39FO3/c1-3-5-7-8-9-11-23-35-28-20-15-26(16-21-28)30-22-17-27(24-31(30)33)32(34)36-29-18-13-25(14-19-29)12-10-6-4-2/h13-22,24H,3-12,23H2,1-2H3