(4-fluorophenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate

Systemtic Name: (4-fluorophenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate Openeye Name: (4-fluorophenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-hexylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-hexylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester Formula: C27H25FO2 MolecularWeight: 400.484603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C27H25FO2/c1-2-3-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)27(29)30-26-19-17-25(28)18-20-26/h7-10,13-20H,2-6H2,1H3