methyl 4-[(E)-4-[2-(4-ethenylphenyl)phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-[2-(4-ethenylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(4-vinylphenyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-ethenylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-ethenylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(4-vinylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C26H20O2 MolecularWeight: 364.4358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC=CC2=CC=CC=C2C3=CC=C(C=C3)C=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#C/C=C/C2=CC=CC=C2C3=CC=C(C=C3)C=C

InChI

InChI=1S/C26H20O2/c1-3-20-12-16-23(17-13-20)25-11-7-6-10-22(25)9-5-4-8-21-14-18-24(19-15-21)26(27)28-2/h3,5-7,9-19H,1H2,2H3/b9-5+