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

Systemtic Name: (4-methylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Openeye Name: p-tolyl 4-[2-(4-pentylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-pentylphenyl)ethynyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-amylphenyl)ethynyl]benzoic acid p-tolyl ester Formula: C27H26O2 MolecularWeight: 382.49414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C27H26O2/c1-3-4-5-6-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)27(28)29-26-19-7-21(2)8-20-26/h7-12,15-20H,3-6H2,1-2H3