4-[(2,3,5-tricarboxypyridin-4-yl)disulfanyl]pyridine-2,3,5-tricarboxylic acid

Systemtic Name: 4-[(2,3,5-tricarboxypyridin-4-yl)disulfanyl]pyridine-2,3,5-tricarboxylic acid Openeye Name: 4-[(2,3,5-tricarboxy-4-pyridyl)disulfanyl]pyridine-2,3,5-tricarboxylic acid CAS Name: 4-[(2,3,5-tricarboxy-4-pyridinyl)disulfanyl]pyridine-2,3,5-tricarboxylic acid IUPAC Name: 4-[(2,3,5-tricarboxypyridin-4-yl)disulfanyl]pyridine-2,3,5-tricarboxylic acid Traditional Name: 4-[(2,3,5-tricarboxy-4-pyridyl)disulfanyl]pyridine-2,3,5-tricarboxylic acid Formula: C16H8N2O12S2 MolecularWeight: 484.37092

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=N1)C(=O)O)C(=O)O)SSC2=C(C(=NC=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=N1)C(=O)O)C(=O)O)SSC2=C(C(=NC=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H8N2O12S2/c19-11(20)3-1-17-7(15(27)28)5(13(23)24)9(3)31-32-10-4(12(21)22)2-18-8(16(29)30)6(10)14(25)26/h1-2H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)