2-[1-oxidanylidene-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-(1-keto-6-triflyloxy-3,4-dihydroisoquinolin-2-yl)acetic acid Formula: C12H10F3NO6S MolecularWeight: 353.27111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC(=O)O

InChI

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