6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(4-hydroxy-4-oxo-butyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(4-hydroxy-4-oxobutyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-hydroxy-4-oxobutyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(4-hydroxy-4-keto-butyl)thio]nicotinic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1C(=O)O)SCCCC(=O)O

InChI

InChI=1S/C10H11NO4S/c12-9(13)2-1-5-16-8-4-3-7(6-11-8)10(14)15/h3-4,6H,1-2,5H2,(H,12,13)(H,14,15)