2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]nicotinic acid Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=O)C(=CO2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=O)C(=CO2)O)C(=O)O

InChI

InChI=1S/C12H9NO5S/c14-9-4-7(18-5-10(9)15)6-19-11-8(12(16)17)2-1-3-13-11/h1-5,15H,6H2,(H,16,17)