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

Systemtic Name: [1-(2-chloroethyl)-3-cyano-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid Openeye Name: [1-(2-chloroethyl)-3-cyano-2-hydroxy-6-oxo-4-pyridyl]methanesulfonic acid CAS Name: [1-(2-chloroethyl)-3-cyano-2-hydroxy-6-oxo-4-pyridinyl]methanesulfonic acid IUPAC Name: [1-(2-chloroethyl)-3-cyano-2-hydroxy-6-oxopyridin-4-yl]methanesulfonic acid Traditional Name: [1-(2-chloroethyl)-3-cyano-2-hydroxy-6-keto-4-pyridyl]methanesulfonic acid Formula: C9H9ClN2O5S MolecularWeight: 292.69616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClN2O5S/c10-1-2-12-8(13)3-6(5-18(15,16)17)7(4-11)9(12)14/h3,14H,1-2,5H2,(H,15,16,17)