3,5-bis(2-phenylethynyl)benzoic acid

Systemtic Name: 3,5-bis(2-phenylethynyl)benzoic acid Openeye Name: 3,5-bis(2-phenylethynyl)benzoic acid CAS Name: 3,5-bis(2-phenylethynyl)benzoic acid IUPAC Name: 3,5-bis(2-phenylethynyl)benzoic acid Traditional Name: 3,5-bis(2-phenylethynyl)benzoic acid Formula: C23H14O2 MolecularWeight: 322.35606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C(=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C(=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H14O2/c24-23(25)22-16-20(13-11-18-7-3-1-4-8-18)15-21(17-22)14-12-19-9-5-2-6-10-19/h1-10,15-17H,(H,24,25)