6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-methoxy-7-triflyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C12H12F3NO6S MolecularWeight: 355.28699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO6S/c1-21-9-4-7-2-3-16(11(17)18)6-8(7)5-10(9)22-23(19,20)12(13,14)15/h4-5H,2-3,6H2,1H3,(H,17,18)