tert-butyl 5-(trifluoromethylsulfonyloxy)-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-(trifluoromethylsulfonyloxy)-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-(trifluoromethylsulfonyloxy)isoindoline-2-carboxylate CAS Name: 5-(trifluoromethylsulfonyloxy)-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(trifluoromethylsulfonyloxy)-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-triflyloxyisoindoline-2-carboxylic acid tert-butyl ester Formula: C14H16F3NO5S MolecularWeight: 367.34075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3NO5S/c1-13(2,3)22-12(19)18-7-9-4-5-11(6-10(9)8-18)23-24(20,21)14(15,16)17/h4-6H,7-8H2,1-3H3