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

Systemtic Name: (1,4-dimethyl-5-methylsulfonyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)methanesulfonic acid Openeye Name: (2-hydroxy-1,4-dimethyl-5-methylsulfonyl-6-oxo-3-pyridyl)methanesulfonic acid CAS Name: (2-hydroxy-1,4-dimethyl-5-methylsulfonyl-6-oxo-3-pyridinyl)methanesulfonic acid IUPAC Name: (2-hydroxy-1,4-dimethyl-5-methylsulfonyl-6-oxopyridin-3-yl)methanesulfonic acid Traditional Name: (2-hydroxy-6-keto-5-mesyl-1,4-dimethyl-3-pyridyl)methanesulfonic acid Formula: C9H13NO7S2 MolecularWeight: 311.33202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CS(=O)(=O)O)O)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CS(=O)(=O)O)O)C)S(=O)(=O)C

InChI

InChI=1S/C9H13NO7S2/c1-5-6(4-19(15,16)17)8(11)10(2)9(12)7(5)18(3,13)14/h11H,4H2,1-3H3,(H,15,16,17)