5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[4-(2-phenylethynyl)phenoxy]isophthalic acid Formula: C22H14O5 MolecularWeight: 358.34356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14O5/c23-21(24)17-12-18(22(25)26)14-20(13-17)27-19-10-8-16(9-11-19)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,23,24)(H,25,26)