methyl 3,5-bis(2-phenylethynyl)benzoate

Systemtic Name: methyl 3,5-bis(2-phenylethynyl)benzoate Openeye Name: methyl 3,5-bis(2-phenylethynyl)benzoate CAS Name: 3,5-bis(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(2-phenylethynyl)benzoate Traditional Name: 3,5-bis(2-phenylethynyl)benzoic acid methyl ester Formula: C24H16O2 MolecularWeight: 336.38264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H16O2/c1-26-24(25)23-17-21(14-12-19-8-4-2-5-9-19)16-22(18-23)15-13-20-10-6-3-7-11-20/h2-11,16-18H,1H3