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4-[3-(2-phenylethynyl)phenyl]carbonylphthalic acid

4-[3-(2-phenylethynyl)phenyl]carbonylphthalic acid

Systemtic Name:4-[3-(2-phenylethynyl)phenyl]carbonylphthalic acid
Openeye Name:4-[3-(2-phenylethynyl)benzoyl]phthalic acid
CAS Name:4-[oxo-[3-(2-phenylethynyl)phenyl]methyl]phthalic acid
IUPAC Name:4-[3-(2-phenylethynyl)benzoyl]phthalic acid
Traditional Name:4-[3-(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(=CC=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

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


InChI

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


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