[4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] prop-2-enoate

Systemtic Name: [4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] prop-2-enoate Openeye Name: [4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] prop-2-enoate Traditional Name: acrylic acid [4-[2-(4-buta-1,3-diynylphenyl)ethynyl]phenyl] ester Formula: C21H12O2 MolecularWeight: 296.31878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC#C

Isomeric SMILES

C=CC(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC#C

InChI

InChI=1S/C21H12O2/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)23-21(22)4-2/h1,4,7-10,13-16H,2H2