ethyl 4-oxidanylidene-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate

Systemtic Name: ethyl 4-oxidanylidene-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate Openeye Name: ethyl 4-oxo-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate CAS Name: 4-oxo-4-[2-(2-phenylethynyl)phenyl]-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate Traditional Name: 4-keto-4-[2-(2-phenylethynyl)phenyl]but-2-ynoic acid ethyl ester Formula: C20H14O3 MolecularWeight: 302.32336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C#CC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2

InChI

InChI=1S/C20H14O3/c1-2-23-20(22)15-14-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,2H2,1H3