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

Systemtic Name: 3-(5-cyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)benzenesulfonic acid Openeye Name: 3-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridyl)benzenesulfonic acid CAS Name: 3-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)benzenesulfonic acid IUPAC Name: 3-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxopyridin-1-yl)benzenesulfonic acid Traditional Name: 3-(5-cyano-2-hydroxy-6-keto-3,4-dimethyl-1-pyridyl)besylic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C)O)C2=CC(=CC=C2)S(=O)(=O)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C)O)C2=CC(=CC=C2)S(=O)(=O)O)C#N

InChI

InChI=1S/C14H12N2O5S/c1-8-9(2)13(17)16(14(18)12(8)7-15)10-4-3-5-11(6-10)22(19,20)21/h3-6,17H,1-2H3,(H,19,20,21)