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

Systemtic Name: 1-butyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-sulfonic acid Openeye Name: 1-butyl-2-hydroxy-4-methyl-6-oxo-pyridine-3-sulfonic acid CAS Name: 1-butyl-2-hydroxy-4-methyl-6-oxo-3-pyridinesulfonic acid IUPAC Name: 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-sulfonic acid Traditional Name: 1-butyl-2-hydroxy-6-keto-4-methyl-pyridine-3-sulfonic acid Formula: C10H15NO5S MolecularWeight: 261.2948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C

Isomeric SMILES

CCCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C

InChI

InChI=1S/C10H15NO5S/c1-3-4-5-11-8(12)6-7(2)9(10(11)13)17(14,15)16/h6,13H,3-5H2,1-2H3,(H,14,15,16)