4-[4-(2-phenylethynyl)phenyl]carbonylphthalic acid

Systemtic Name: 4-[4-(2-phenylethynyl)phenyl]carbonylphthalic acid Openeye Name: 4-[4-(2-phenylethynyl)benzoyl]phthalic acid CAS Name: 4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]phthalic acid IUPAC Name: 4-[4-(2-phenylethynyl)benzoyl]phthalic acid Traditional Name: 4-[4-(2-phenylethynyl)benzoyl]phthalic acid Formula: C23H14O5 MolecularWeight: 370.35426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C23H14O5/c24-21(18-12-13-19(22(25)26)20(14-18)23(27)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,25,26)(H,27,28)