methyl 4-[2-(2-phenylethynyl)phenyl]benzoate

Systemtic Name: methyl 4-[2-(2-phenylethynyl)phenyl]benzoate Openeye Name: methyl 4-[2-(2-phenylethynyl)phenyl]benzoate CAS Name: 4-[2-(2-phenylethynyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-phenylethynyl)phenyl]benzoate Traditional Name: 4-[2-(2-phenylethynyl)phenyl]benzoic acid methyl ester Formula: C22H16O2 MolecularWeight: 312.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C22H16O2/c1-24-22(23)20-15-13-19(14-16-20)21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,13-16H,1H3