(4-pentylphenyl) 4-(3-fluoranyl-4-heptyl-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptyl-phenyl)benzoic acid (4-amylphenyl) ester Formula: C31H37FO2 MolecularWeight: 460.622683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C31H37FO2/c1-3-5-7-8-10-12-26-17-20-28(23-30(26)32)25-15-18-27(19-16-25)31(33)34-29-21-13-24(14-22-29)11-9-6-4-2/h13-23H,3-12H2,1-2H3