4-[4-(2,6-dicarboxypyridin-4-yl)buta-1,3-diynyl]pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[4-(2,6-dicarboxypyridin-4-yl)buta-1,3-diynyl]pyridine-2,6-dicarboxylic acid Openeye Name: 4-[4-(2,6-dicarboxy-4-pyridyl)buta-1,3-diynyl]pyridine-2,6-dicarboxylic acid CAS Name: 4-[4-(2,6-dicarboxy-4-pyridinyl)buta-1,3-diynyl]pyridine-2,6-dicarboxylic acid IUPAC Name: 4-[4-(2,6-dicarboxypyridin-4-yl)buta-1,3-diynyl]pyridine-2,6-dicarboxylic acid Traditional Name: 4-[4-(2,6-dicarboxy-4-pyridyl)buta-1,3-diynyl]dipicolinic acid Formula: C18H8N2O8 MolecularWeight: 380.26472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H8N2O8/c21-15(22)11-5-9(6-12(19-11)16(23)24)3-1-2-4-10-7-13(17(25)26)20-14(8-10)18(27)28/h5-8H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)