[2-fluoranyl-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] 4-pentylbenzoate

Systemtic Name: [2-fluoranyl-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] 4-pentylbenzoate Openeye Name: [2-fluoro-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-fluoro-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] ester IUPAC Name: [2-fluoro-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-fluoro-6-pent-1-ynyl-3-(2-phenylethynyl)phenyl] ester Formula: C31H29FO2 MolecularWeight: 452.559163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2F)C#CC3=CC=CC=C3)C#CCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2F)C#CC3=CC=CC=C3)C#CCCC

InChI

InChI=1S/C31H29FO2/c1-3-5-8-12-25-17-20-28(21-18-25)31(33)34-30-27(15-9-6-4-2)23-22-26(29(30)32)19-16-24-13-10-7-11-14-24/h7,10-11,13-14,17-18,20-23H,3-6,8,12H2,1-2H3