ethyl 4-(4-dec-1-ynyl-3-fluoranyl-phenyl)benzoate

Systemtic Name: ethyl 4-(4-dec-1-ynyl-3-fluoranyl-phenyl)benzoate Openeye Name: ethyl 4-(4-dec-1-ynyl-3-fluoro-phenyl)benzoate CAS Name: 4-(4-dec-1-ynyl-3-fluorophenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-dec-1-ynyl-3-fluorophenyl)benzoate Traditional Name: 4-(4-dec-1-ynyl-3-fluoro-phenyl)benzoic acid ethyl ester Formula: C25H29FO2 MolecularWeight: 380.494963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC)F

Isomeric SMILES

CCCCCCCCC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC)F

InChI

InChI=1S/C25H29FO2/c1-3-5-6-7-8-9-10-11-12-21-15-18-23(19-24(21)26)20-13-16-22(17-14-20)25(27)28-4-2/h13-19H,3-10H2,1-2H3