[3-cyano-1-(2-hydroxyethyl)-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid

Systemtic Name: [3-cyano-1-(2-hydroxyethyl)-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid Openeye Name: [3-cyano-2-hydroxy-1-(2-hydroxyethyl)-6-oxo-4-pyridyl]methanesulfonic acid CAS Name: [3-cyano-2-hydroxy-1-(2-hydroxyethyl)-6-oxo-4-pyridinyl]methanesulfonic acid IUPAC Name: [3-cyano-2-hydroxy-1-(2-hydroxyethyl)-6-oxopyridin-4-yl]methanesulfonic acid Traditional Name: [3-cyano-2-hydroxy-1-(2-hydroxyethyl)-6-keto-4-pyridyl]methanesulfonic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(N(C1=O)CCO)O)C#N)CS(=O)(=O)O

Isomeric SMILES

C1=C(C(=C(N(C1=O)CCO)O)C#N)CS(=O)(=O)O

InChI

InChI=1S/C9H10N2O6S/c10-4-7-6(5-18(15,16)17)3-8(13)11(1-2-12)9(7)14/h3,12,14H,1-2,5H2,(H,15,16,17)