4-(2,6-dicarboxypyridin-4-yl)sulfanylpyridine-2,6-dicarboxylic acid

Systemtic Name: 4-(2,6-dicarboxypyridin-4-yl)sulfanylpyridine-2,6-dicarboxylic acid Openeye Name: 4-[(2,6-dicarboxy-4-pyridyl)sulfanyl]pyridine-2,6-dicarboxylic acid CAS Name: 4-[(2,6-dicarboxy-4-pyridinyl)thio]pyridine-2,6-dicarboxylic acid IUPAC Name: 4-(2,6-dicarboxypyridin-4-yl)sulfanylpyridine-2,6-dicarboxylic acid Traditional Name: 4-[(2,6-dicarboxy-4-pyridyl)thio]dipicolinic acid Formula: C14H8N2O8S MolecularWeight: 364.28692

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(N=C1C(=O)O)C(=O)O)SC2=CC(=NC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(N=C1C(=O)O)C(=O)O)SC2=CC(=NC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H8N2O8S/c17-11(18)7-1-5(2-8(15-7)12(19)20)25-6-3-9(13(21)22)16-10(4-6)14(23)24/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)