(4-pentylphenyl) 4-(4-butyl-2-fluoranyl-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(4-butyl-2-fluoranyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(4-butyl-2-fluoro-phenyl)benzoate CAS Name: 4-(4-butyl-2-fluorophenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(4-butyl-2-fluorophenyl)benzoate Traditional Name: 4-(4-butyl-2-fluoro-phenyl)benzoic acid (4-amylphenyl) ester Formula: C28H31FO2 MolecularWeight: 418.542943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

InChI

InChI=1S/C28H31FO2/c1-3-5-7-9-21-10-17-25(18-11-21)31-28(30)24-15-13-23(14-16-24)26-19-12-22(8-6-4-2)20-27(26)29/h10-20H,3-9H2,1-2H3