4-butyl-2-oxidanyl-6-oxidanylidene-1H-pyridine-3-sulfonic acid

Systemtic Name: 4-butyl-2-oxidanyl-6-oxidanylidene-1H-pyridine-3-sulfonic acid Openeye Name: 4-butyl-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid CAS Name: 4-butyl-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid IUPAC Name: 4-butyl-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid Traditional Name: 4-butyl-2-hydroxy-6-keto-1H-pyridine-3-sulfonic acid Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)NC(=C1S(=O)(=O)O)O

Isomeric SMILES

CCCCC1=CC(=O)NC(=C1S(=O)(=O)O)O

InChI

InChI=1S/C9H13NO5S/c1-2-3-4-6-5-7(11)10-9(12)8(6)16(13,14)15/h5H,2-4H2,1H3,(H2,10,11,12)(H,13,14,15)