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

Systemtic Name: 2-(5-chloranyl-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethanesulfonic acid Openeye Name: 2-(5-chloro-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridyl)ethanesulfonic acid CAS Name: 2-(5-chloro-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethanesulfonic acid IUPAC Name: 2-(5-chloro-2-hydroxy-3,4-dimethyl-6-oxopyridin-1-yl)ethanesulfonic acid Traditional Name: 2-(5-chloro-2-hydroxy-6-keto-3,4-dimethyl-1-pyridyl)ethanesulfonic acid Formula: C9H12ClNO5S MolecularWeight: 281.71328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C)O)CCS(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C)O)CCS(=O)(=O)O)Cl

InChI

InChI=1S/C9H12ClNO5S/c1-5-6(2)8(12)11(9(13)7(5)10)3-4-17(14,15)16/h12H,3-4H2,1-2H3,(H,14,15,16)