dimethyl 5-(2-phenylethynyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-phenylethynyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-phenylethynyl)benzene-1,3-dicarboxylate CAS Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-phenylethynyl)benzene-1,3-dicarboxylate Traditional Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H14O4 MolecularWeight: 294.30136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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