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

Systemtic Name: (4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Openeye Name: (4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid (4-butylphenyl) ester Formula: C29H30O2 MolecularWeight: 410.5473

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H30O2/c1-3-5-7-23-9-11-25(12-10-23)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-24(18-22-28)8-6-4-2/h9-12,15-22H,3-8H2,1-2H3