(1-ethyl-4-methyl-5-methylsulfonyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)methanesulfonic acid

Systemtic Name: (1-ethyl-4-methyl-5-methylsulfonyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)methanesulfonic acid Openeye Name: (1-ethyl-2-hydroxy-4-methyl-5-methylsulfonyl-6-oxo-3-pyridyl)methanesulfonic acid CAS Name: (1-ethyl-2-hydroxy-4-methyl-5-methylsulfonyl-6-oxo-3-pyridinyl)methanesulfonic acid IUPAC Name: (1-ethyl-2-hydroxy-4-methyl-5-methylsulfonyl-6-oxopyridin-3-yl)methanesulfonic acid Traditional Name: (1-ethyl-2-hydroxy-6-keto-5-mesyl-4-methyl-3-pyridyl)methanesulfonic acid Formula: C10H15NO7S2 MolecularWeight: 325.3586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C(C1=O)S(=O)(=O)C)C)CS(=O)(=O)O)O

Isomeric SMILES

CCN1C(=C(C(=C(C1=O)S(=O)(=O)C)C)CS(=O)(=O)O)O

InChI

InChI=1S/C10H15NO7S2/c1-4-11-9(12)7(5-20(16,17)18)6(2)8(10(11)13)19(3,14)15/h12H,4-5H2,1-3H3,(H,16,17,18)