6-(5-carboxypyridin-2-yl)sulfinothioylpyridine-3-carboxylic acid

Systemtic Name: 6-(5-carboxypyridin-2-yl)sulfinothioylpyridine-3-carboxylic acid Openeye Name: 6-[(5-carboxy-2-pyridyl)sulfinothioyl]pyridine-3-carboxylic acid CAS Name: 6-[(5-carboxy-2-pyridinyl)sulfinothioyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(5-carboxypyridin-2-yl)sulfinothioylpyridine-3-carboxylic acid Traditional Name: 6-[(5-carboxy-2-pyridyl)sulfinothioyl]nicotinic acid Formula: C12H8N2O4S2 MolecularWeight: 308.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)O)S(=S)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=NC=C1C(=O)O)S(=S)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)20(19)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)