(2-fluoranyl-4-methyl-phenyl) 4-(4-octoxyphenyl)benzoate

Systemtic Name: (2-fluoranyl-4-methyl-phenyl) 4-(4-octoxyphenyl)benzoate Openeye Name: (2-fluoro-4-methyl-phenyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid (2-fluoro-4-methylphenyl) ester IUPAC Name: (2-fluoro-4-methylphenyl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-fluoro-4-methyl-phenyl) ester Formula: C28H31FO3 MolecularWeight: 434.542343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31FO3/c1-3-4-5-6-7-8-19-31-25-16-14-23(15-17-25)22-10-12-24(13-11-22)28(30)32-27-18-9-21(2)20-26(27)29/h9-18,20H,3-8,19H2,1-2H3