6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-triflyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C11H10F3NO5S MolecularWeight: 325.26101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H10F3NO5S/c12-11(13,14)21(18,19)20-9-2-1-8-6-15(10(16)17)4-3-7(8)5-9/h1-2,5H,3-4,6H2,(H,16,17)