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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C

Isomeric SMILES

CCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C

InChI

InChI=1S/C9H13NO5S/c1-3-4-10-7(11)5-6(2)8(9(10)12)16(13,14)15/h5,12H,3-4H2,1-2H3,(H,13,14,15)