4-[2-(4,5-dimethyl-6-oxidanyl-2-oxidanylidene-1H-pyridin-3-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-(4,5-dimethyl-6-oxidanyl-2-oxidanylidene-1H-pyridin-3-yl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]benzenesulfonic acid Traditional Name: 4-[2-(6-hydroxy-2-keto-4,5-dimethyl-1H-pyridin-3-yl)ethyl]besylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1C)O)CCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=C1C)O)CCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO5S/c1-9-10(2)14(17)16-15(18)13(9)8-5-11-3-6-12(7-4-11)22(19,20)21/h3-4,6-7H,5,8H2,1-2H3,(H2,16,17,18)(H,19,20,21)