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

Systemtic Name: (7-fluoranyl-4-oxidanylidene-1H-quinolin-3-yl) butane-2-sulfonate Openeye Name: (7-fluoro-4-oxo-1H-quinolin-3-yl) butane-2-sulfonate CAS Name: 2-butanesulfonic acid IUPAC Name: (7-fluoro-4-oxo-1H-quinolin-3-yl) butane-2-sulfonate Traditional Name: butane-2-sulfonic acid (7-fluoro-4-keto-1H-quinolin-3-yl) ester Formula: C13H14FNO4S MolecularWeight: 299.317963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO4S/c1-3-8(2)20(17,18)19-12-7-15-11-6-9(14)4-5-10(11)13(12)16/h4-8H,3H2,1-2H3,(H,15,16)