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

Systemtic Name: 4-[2-[3-(4-methylphenyl)carbonyl-4-oxidanyl-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-hydroxy-3-(4-methylbenzoyl)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-hydroxy-3-[(4-methylphenyl)-oxomethyl]phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-hydroxy-3-(4-methylbenzoyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-(4-hydroxy-3-p-toluoyl-phenyl)ethynyl]benzoic acid Formula: C23H16O4 MolecularWeight: 356.37074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16O4/c1-15-2-9-18(10-3-15)22(25)20-14-17(8-13-21(20)24)5-4-16-6-11-19(12-7-16)23(26)27/h2-3,6-14,24H,1H3,(H,26,27)