diethyl 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylate CAS Name: 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylate Traditional Name: 2,5-bis(2-phenylethynyl)benzene-1,4-dicarboxylic acid diethyl ester Formula: C28H22O4 MolecularWeight: 422.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C#CC2=CC=CC=C2)C(=O)OCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C#CC2=CC=CC=C2)C(=O)OCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C28H22O4/c1-3-31-27(29)25-19-24(18-16-22-13-9-6-10-14-22)26(28(30)32-4-2)20-23(25)17-15-21-11-7-5-8-12-21/h5-14,19-20H,3-4H2,1-2H3