dimethyl 2-(2-phenylethynyl)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-phenylethynyl)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(2-phenylethynyl)benzene-1,4-dicarboxylate CAS Name: 2-(2-phenylethynyl)benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-phenylethynyl)benzene-1,4-dicarboxylate Traditional Name: 2-(2-phenylethynyl)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H14O4 MolecularWeight: 294.30136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14O4/c1-21-17(19)15-10-11-16(18(20)22-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3