methyl 4-(2-phenylethynyl)benzoate

Systemtic Name: methyl 4-(2-phenylethynyl)benzoate Openeye Name: methyl 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid methyl ester Formula: C16H12O2 MolecularWeight: 236.26528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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