1,4-dibutyl-2-oxidanyl-6-oxidanylidene-pyridine-3-sulfonic acid

Systemtic Name: 1,4-dibutyl-2-oxidanyl-6-oxidanylidene-pyridine-3-sulfonic acid Openeye Name: 1,4-dibutyl-2-hydroxy-6-oxo-pyridine-3-sulfonic acid CAS Name: 1,4-dibutyl-2-hydroxy-6-oxo-3-pyridinesulfonic acid IUPAC Name: 1,4-dibutyl-2-hydroxy-6-oxopyridine-3-sulfonic acid Traditional Name: 1,4-dibutyl-2-hydroxy-6-keto-pyridine-3-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO5S/c1-3-5-7-10-9-11(15)14(8-6-4-2)13(16)12(10)20(17,18)19/h9,16H,3-8H2,1-2H3,(H,17,18,19)