2-[2-oxidanylidene-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid Openeye Name: 2-[2-oxo-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-quinolin-3-yl]acetic acid CAS Name: 2-[2-oxo-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-quinolin-3-yl]acetic acid IUPAC Name: 2-[2-oxo-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-quinolin-3-yl]acetic acid Traditional Name: 2-(2-keto-7-triflyloxy-3,4-dihydro-1H-quinolin-3-yl)acetic acid Formula: C12H10F3NO6S MolecularWeight: 353.27111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C12H10F3NO6S/c13-12(14,15)23(20,21)22-8-2-1-6-3-7(4-10(17)18)11(19)16-9(6)5-8/h1-2,5,7H,3-4H2,(H,16,19)(H,17,18)