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

Systemtic Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid Openeye Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid CAS Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid IUPAC Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid Traditional Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid Formula: C21H14O2 MolecularWeight: 298.33466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O2/c22-21(23)20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,(H,22,23)