(7-fluoranyl-4-oxidanylidene-1H-quinolin-3-yl) propane-2-sulfonate

Systemtic Name: (7-fluoranyl-4-oxidanylidene-1H-quinolin-3-yl) propane-2-sulfonate Openeye Name: (7-fluoro-4-oxo-1H-quinolin-3-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (7-fluoro-4-oxo-1H-quinolin-3-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (7-fluoro-4-keto-1H-quinolin-3-yl) ester Formula: C12H12FNO4S MolecularWeight: 285.291383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)F

InChI

InChI=1S/C12H12FNO4S/c1-7(2)19(16,17)18-11-6-14-10-5-8(13)3-4-9(10)12(11)15/h3-7H,1-2H3,(H,14,15)