6-(5-carboxylatopyridin-2-yl)sulfinothioylpyridine-3-carboxylate

Systemtic Name: 6-(5-carboxylatopyridin-2-yl)sulfinothioylpyridine-3-carboxylate Openeye Name: 6-[(5-carboxylato-2-pyridyl)sulfinothioyl]pyridine-3-carboxylate CAS Name: 6-[(5-carboxylato-2-pyridinyl)sulfinothioyl]-3-pyridinecarboxylate IUPAC Name: 6-(5-carboxylatopyridin-2-yl)sulfinothioylpyridine-3-carboxylate Traditional Name: 6-[(5-carboxylato-2-pyridyl)sulfinothioyl]nicotinate Formula: C12H6N2O4S2-2 MolecularWeight: 306.31704

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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)/p-2