4-[(E)-4-[2-fluoranyl-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-[2-fluoranyl-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-fluoro-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-fluoro-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[2-fluoro-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-fluoro-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C24H17FO2 MolecularWeight: 356.388983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)F)C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)F)/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H17FO2/c1-17-9-13-19(14-10-17)21-7-4-8-23(25)22(21)6-3-2-5-18-11-15-20(16-12-18)24(26)27/h3-4,6-16H,1H3,(H,26,27)/b6-3+