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

Systemtic Name: methyl 2-[4-(2-phenylethynyl)phenyl]ethanoate Openeye Name: methyl 2-[4-(2-phenylethynyl)phenyl]acetate CAS Name: 2-[4-(2-phenylethynyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-phenylethynyl)phenyl]acetate Traditional Name: 2-[4-(2-phenylethynyl)phenyl]acetic acid methyl ester Formula: C17H14O2 MolecularWeight: 250.29186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H14O2/c1-19-17(18)13-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3