methyl 4-(4-ethynylphenyl)benzoate

Systemtic Name: methyl 4-(4-ethynylphenyl)benzoate Openeye Name: methyl 4-(4-ethynylphenyl)benzoate CAS Name: 4-(4-ethynylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethynylphenyl)benzoate Traditional Name: 4-(4-ethynylphenyl)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)C2=CC=C(C=C2)C#C

Isomeric SMILES

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

InChI

InChI=1S/C16H12O2/c1-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18-2/h1,4-11H,2H3