(4-methylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate

Systemtic Name: (4-methylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Openeye Name: p-tolyl 4-[2-(4-butylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid p-tolyl ester Formula: C26H24O2 MolecularWeight: 368.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C26H24O2/c1-3-4-5-21-8-10-22(11-9-21)12-13-23-14-16-24(17-15-23)26(27)28-25-18-6-20(2)7-19-25/h6-11,14-19H,3-5H2,1-2H3