bis(2-phenylethynyl) pentanedioate

Systemtic Name: bis(2-phenylethynyl) pentanedioate Openeye Name: bis(2-phenylethynyl) pentanedioate CAS Name: pentanedioic acid bis(2-phenylethynyl) ester IUPAC Name: bis(2-phenylethynyl) pentanedioate Traditional Name: glutaric acid bis(2-phenylethynyl) ester Formula: C21H16O4 MolecularWeight: 332.34934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#COC(=O)CCCC(=O)OC#CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C#COC(=O)CCCC(=O)OC#CC2=CC=CC=C2

InChI

InChI=1S/C21H16O4/c22-20(24-16-14-18-8-3-1-4-9-18)12-7-13-21(23)25-17-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-13H2