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

Systemtic Name: ethyl 4-oxidanyl-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate CAS Name: 4-hydroxy-4-[2-(2-phenylethynyl)phenyl]-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[2-(2-phenylethynyl)phenyl]but-2-ynoate Traditional Name: 4-hydroxy-4-[2-(2-phenylethynyl)phenyl]but-2-ynoic acid ethyl ester Formula: C20H16O3 MolecularWeight: 304.33924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16O3/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/h3-11,19,21H,2H2,1H3