(2,4,5-trimethyl-6-oxidanylidene-1H-pyridin-3-yl) 4-fluoranylbenzenesulfonate

Systemtic Name: (2,4,5-trimethyl-6-oxidanylidene-1H-pyridin-3-yl) 4-fluoranylbenzenesulfonate Openeye Name: (2,4,5-trimethyl-6-oxo-1H-pyridin-3-yl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (2,4,5-trimethyl-6-oxo-1H-pyridin-3-yl) ester IUPAC Name: (2,4,5-trimethyl-6-oxo-1H-pyridin-3-yl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (6-keto-2,4,5-trimethyl-1H-pyridin-3-yl) ester Formula: C14H14FNO4S MolecularWeight: 311.328663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1OS(=O)(=O)C2=CC=C(C=C2)F)C)C

Isomeric SMILES

CC1=C(C(=O)NC(=C1OS(=O)(=O)C2=CC=C(C=C2)F)C)C

InChI

InChI=1S/C14H14FNO4S/c1-8-9(2)14(17)16-10(3)13(8)20-21(18,19)12-6-4-11(15)5-7-12/h4-7H,1-3H3,(H,16,17)