[4-(2-phenylethynyl)phenyl] ethanoate

Systemtic Name: [4-(2-phenylethynyl)phenyl] ethanoate Openeye Name: [4-(2-phenylethynyl)phenyl] acetate CAS Name: acetic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] acetate Traditional Name: acetic acid [4-(2-phenylethynyl)phenyl] ester Formula: C16H12O2 MolecularWeight: 236.26528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H12O2/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3