O2-tert-butyl O3-methyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-methyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-methyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester IUPAC Name: 2-O-tert-butyl 3-O-methyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 6-triflyloxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester Formula: C17H20F3NO7S MolecularWeight: 439.40341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H20F3NO7S/c1-16(2,3)27-15(23)21-9-10-5-6-12(28-29(24,25)17(18,19)20)7-11(10)8-13(21)14(22)26-4/h5-7,13H,8-9H2,1-4H3