2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-hydroxy-4-oxobutan-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-hydroxy-4-oxobutan-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-hydroxy-3-keto-1-methyl-propyl)thio]nicotinic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(CC(=O)O)SC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H11NO4S/c1-6(5-8(12)13)16-9-7(10(14)15)3-2-4-11-9/h2-4,6H,5H2,1H3,(H,12,13)(H,14,15)