dimethyl 5-phenyl-6-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-4,7-dicarboxylate

Systemtic Name: dimethyl 5-phenyl-6-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-4,7-dicarboxylate Openeye Name: dimethyl 5-phenyl-6-(2-phenylethynyl)-1,3-dihydroisobenzofuran-4,7-dicarboxylate CAS Name: 5-phenyl-6-(2-phenylethynyl)-1,3-dihydroisobenzofuran-4,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-phenyl-6-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-4,7-dicarboxylate Traditional Name: 5-phenyl-6-(2-phenylethynyl)phthalan-4,7-dicarboxylic acid dimethyl ester Formula: C26H20O5 MolecularWeight: 412.434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2COCC2=C(C(=C1C#CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2COCC2=C(C(=C1C#CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H20O5/c1-29-25(27)23-19(14-13-17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)24(26(28)30-2)21-16-31-15-20(21)23/h3-12H,15-16H2,1-2H3