2-fluoranyl-3-[2-[2-methyl-5-(4-methylphenyl)carbonyl-4-oxidanyl-phenyl]ethynyl]benzoic acid

Systemtic Name: 2-fluoranyl-3-[2-[2-methyl-5-(4-methylphenyl)carbonyl-4-oxidanyl-phenyl]ethynyl]benzoic acid Openeye Name: 2-fluoro-3-[2-[4-hydroxy-2-methyl-5-(4-methylbenzoyl)phenyl]ethynyl]benzoic acid CAS Name: 2-fluoro-3-[2-[4-hydroxy-2-methyl-5-[(4-methylphenyl)-oxomethyl]phenyl]ethynyl]benzoic acid IUPAC Name: 2-fluoro-3-[2-[4-hydroxy-2-methyl-5-(4-methylbenzoyl)phenyl]ethynyl]benzoic acid Traditional Name: 2-fluoro-3-[2-(4-hydroxy-2-methyl-5-p-toluoyl-phenyl)ethynyl]benzoic acid Formula: C24H17FO4 MolecularWeight: 388.387783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17FO4/c1-14-6-8-17(9-7-14)23(27)20-13-18(15(2)12-21(20)26)11-10-16-4-3-5-19(22(16)25)24(28)29/h3-9,12-13,26H,1-2H3,(H,28,29)