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

Systemtic Name: methyl 4-[4-(2-phenylethynyl)phenyl]benzoate Openeye Name: methyl 4-[4-(2-phenylethynyl)phenyl]benzoate CAS Name: 4-[4-(2-phenylethynyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-phenylethynyl)phenyl]benzoate Traditional Name: 4-[4-(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=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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