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

Systemtic Name: (4-methylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate Openeye Name: p-tolyl 4-[2-(4-propylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-propylphenyl)ethynyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-propylphenyl)ethynyl]benzoic acid p-tolyl ester Formula: C25H22O2 MolecularWeight: 354.44098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C25H22O2/c1-3-4-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25(26)27-24-17-5-19(2)6-18-24/h5-10,13-18H,3-4H2,1-2H3