methyl 4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzoate Openeye Name: methyl 4-[4-[2-(p-tolyl)ethynyl]phenyl]benzoate CAS Name: 4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzoate Traditional Name: 4-[4-[2-(p-tolyl)ethynyl]phenyl]benzoic acid methyl ester Formula: C23H18O2 MolecularWeight: 326.38782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H18O2/c1-17-3-5-18(6-4-17)7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24)25-2/h3-6,9-16H,1-2H3