4-(2-acetamidoethyl)-2-oxidanyl-6-oxidanylidene-1H-pyridine-3-sulfonic acid

Systemtic Name: 4-(2-acetamidoethyl)-2-oxidanyl-6-oxidanylidene-1H-pyridine-3-sulfonic acid Openeye Name: 4-(2-acetamidoethyl)-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid CAS Name: 4-(2-acetamidoethyl)-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid IUPAC Name: 4-(2-acetamidoethyl)-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid Traditional Name: 4-(2-acetamidoethyl)-2-hydroxy-6-keto-1H-pyridine-3-sulfonic acid Formula: C9H12N2O6S MolecularWeight: 276.26638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC(=O)NC(=C1S(=O)(=O)O)O

Isomeric SMILES

CC(=O)NCCC1=CC(=O)NC(=C1S(=O)(=O)O)O

InChI

InChI=1S/C9H12N2O6S/c1-5(12)10-3-2-6-4-7(13)11-9(14)8(6)18(15,16)17/h4H,2-3H2,1H3,(H,10,12)(H2,11,13,14)(H,15,16,17)