4-[2-(2,6-dicarboxypyridin-4-yl)ethynyl]pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[2-(2,6-dicarboxypyridin-4-yl)ethynyl]pyridine-2,6-dicarboxylic acid Openeye Name: 4-[2-(2,6-dicarboxy-4-pyridyl)ethynyl]pyridine-2,6-dicarboxylic acid CAS Name: 4-[2-(2,6-dicarboxy-4-pyridinyl)ethynyl]pyridine-2,6-dicarboxylic acid IUPAC Name: 4-[2-(2,6-dicarboxypyridin-4-yl)ethynyl]pyridine-2,6-dicarboxylic acid Traditional Name: 4-[2-(2,6-dicarboxy-4-pyridyl)ethynyl]dipicolinic acid Formula: C16H8N2O8 MolecularWeight: 356.24332

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(N=C1C(=O)O)C(=O)O)C#CC2=CC(=NC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(N=C1C(=O)O)C(=O)O)C#CC2=CC(=NC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H8N2O8/c19-13(20)9-3-7(4-10(17-9)14(21)22)1-2-8-5-11(15(23)24)18-12(6-8)16(25)26/h3-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)