5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-phenylethynyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-phenylethynyl)isophthalic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O4/c17-15(18)13-8-12(9-14(10-13)16(19)20)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18)(H,19,20)