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

Systemtic Name: 1-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-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(C(C2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

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