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

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 2-(4-octylphenyl)benzoate Openeye Name: (2-fluoro-4-pentyl-phenyl) 2-(4-octylphenyl)benzoate CAS Name: 2-(4-octylphenyl)benzoic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 2-(4-octylphenyl)benzoate Traditional Name: 2-(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=CC=C2C(=O)OC3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H39FO2/c1-3-5-7-8-9-11-14-25-18-21-27(22-19-25)28-16-12-13-17-29(28)32(34)35-31-23-20-26(24-30(31)33)15-10-6-4-2/h12-13,16-24H,3-11,14-15H2,1-2H3