diphenyl 3-(2-phenylethynyl)benzene-1,2-dicarboxylate

Systemtic Name: diphenyl 3-(2-phenylethynyl)benzene-1,2-dicarboxylate Openeye Name: diphenyl 3-(2-phenylethynyl)benzene-1,2-dicarboxylate CAS Name: 3-(2-phenylethynyl)benzene-1,2-dicarboxylic acid diphenyl ester IUPAC Name: diphenyl 3-(2-phenylethynyl)benzene-1,2-dicarboxylate Traditional Name: 3-(2-phenylethynyl)benzene-1,2-dicarboxylic acid diphenyl ester Formula: C28H18O4 MolecularWeight: 418.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C(=CC=C2)C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C(=CC=C2)C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H18O4/c29-27(31-23-14-6-2-7-15-23)25-18-10-13-22(20-19-21-11-4-1-5-12-21)26(25)28(30)32-24-16-8-3-9-17-24/h1-18H