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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C

Isomeric SMILES

CCCCC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C

InChI

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