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

Systemtic Name: (4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate Openeye Name: (4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-hexylphenyl)ethynyl]benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-hexylphenyl)ethynyl]benzoic acid (4-amylphenyl) ester Formula: C32H36O2 MolecularWeight: 452.62704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C32H36O2/c1-3-5-7-9-11-26-12-14-28(15-13-26)16-17-29-18-22-30(23-19-29)32(33)34-31-24-20-27(21-25-31)10-8-6-4-2/h12-15,18-25H,3-11H2,1-2H3