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

Systemtic Name: (4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Openeye Name: (4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-pentylphenyl)ethynyl]benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-amylphenyl)ethynyl]benzoic acid (4-amylphenyl) ester Formula: C31H34O2 MolecularWeight: 438.60046

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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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H34O2/c1-3-5-7-9-25-11-13-27(14-12-25)15-16-28-17-21-29(22-18-28)31(32)33-30-23-19-26(20-24-30)10-8-6-4-2/h11-14,17-24H,3-10H2,1-2H3