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

Systemtic Name: 2-(5-cyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethanesulfonic acid Openeye Name: 2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridyl)ethanesulfonic acid CAS Name: 2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethanesulfonic acid IUPAC Name: 2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxopyridin-1-yl)ethanesulfonic acid Traditional Name: 2-(5-cyano-2-hydroxy-6-keto-3,4-dimethyl-1-pyridyl)ethanesulfonic acid Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5S/c1-6-7(2)9(13)12(3-4-18(15,16)17)10(14)8(6)5-11/h13H,3-4H2,1-2H3,(H,15,16,17)