(2-fluoranyl-4-pentyl-phenyl) 4-(4-octylphenyl)benzoate

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 4-(4-octylphenyl)benzoate Openeye Name: (2-fluoro-4-pentyl-phenyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (4-amyl-2-fluoro-phenyl) ester Formula: C32H39FO2 MolecularWeight: 474.649263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H39FO2/c1-3-5-7-8-9-11-12-25-14-17-27(18-15-25)28-19-21-29(22-20-28)32(34)35-31-23-16-26(24-30(31)33)13-10-6-4-2/h14-24H,3-13H2,1-2H3