[2-(2-phenylethynyl)phenyl] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

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