diethyl 2-[[2-(2-phenylethynyl)phenyl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-(2-phenylethynyl)phenyl]methylidene]propanedioate Openeye Name: diethyl 2-[[2-(2-phenylethynyl)phenyl]methylene]propanedioate CAS Name: 2-[[2-(2-phenylethynyl)phenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(2-phenylethynyl)phenyl]methylidene]propanedioate Traditional Name: 2-[2-(2-phenylethynyl)benzylidene]malonic acid diethyl ester Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H20O4/c1-3-25-21(23)20(22(24)26-4-2)16-19-13-9-8-12-18(19)15-14-17-10-6-5-7-11-17/h5-13,16H,3-4H2,1-2H3