(4-methylphenyl) 4-(4-but-3-ynyl-2-fluoranyl-phenyl)benzoate

Systemtic Name: (4-methylphenyl) 4-(4-but-3-ynyl-2-fluoranyl-phenyl)benzoate Openeye Name: p-tolyl 4-(4-but-3-ynyl-2-fluoro-phenyl)benzoate CAS Name: 4-(4-but-3-ynyl-2-fluorophenyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(4-but-3-ynyl-2-fluorophenyl)benzoate Traditional Name: 4-(4-but-3-ynyl-2-fluoro-phenyl)benzoic acid p-tolyl ester Formula: C24H19FO2 MolecularWeight: 358.404863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCC#C)F

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCC#C)F

InChI

InChI=1S/C24H19FO2/c1-3-4-5-18-8-15-22(23(25)16-18)19-9-11-20(12-10-19)24(26)27-21-13-6-17(2)7-14-21/h1,6-16H,4-5H2,2H3