(phenylmethyl) 7-(trifluoromethylsulfonyloxy)isoquinoline-6-carboxylate

Systemtic Name: (phenylmethyl) 7-(trifluoromethylsulfonyloxy)isoquinoline-6-carboxylate Openeye Name: benzyl 7-(trifluoromethylsulfonyloxy)isoquinoline-6-carboxylate CAS Name: 7-(trifluoromethylsulfonyloxy)-6-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(trifluoromethylsulfonyloxy)isoquinoline-6-carboxylate Traditional Name: 7-triflyloxyisoquinoline-6-carboxylic acid benzyl ester Formula: C18H12F3NO5S MolecularWeight: 411.35179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=C3C=NC=CC3=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=C3C=NC=CC3=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H12F3NO5S/c19-18(20,21)28(24,25)27-16-9-14-10-22-7-6-13(14)8-15(16)17(23)26-11-12-4-2-1-3-5-12/h1-10H,11H2