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4-(trifluoromethylsulfonyloxy)quinoline-2-carboxylic acid

4-(trifluoromethylsulfonyloxy)quinoline-2-carboxylic acid

Systemtic Name:4-(trifluoromethylsulfonyloxy)quinoline-2-carboxylic acid
Openeye Name:4-(trifluoromethylsulfonyloxy)quinoline-2-carboxylic acid
CAS Name:4-(trifluoromethylsulfonyloxy)-2-quinolinecarboxylic acid
IUPAC Name:4-(trifluoromethylsulfonyloxy)quinoline-2-carboxylic acid
Traditional Name:4-triflyloxyquinaldic acid
Formula: C11H6F3NO5S
MolecularWeight: 321.22925
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OS(=O)(=O)C(F)(F)F


Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OS(=O)(=O)C(F)(F)F


InChI

InChI=1S/C11H6F3NO5S/c12-11(13,14)21(18,19)20-9-5-8(10(16)17)15-7-4-2-1-3-6(7)9/h1-5H,(H,16,17)


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