[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-1H-isoquinolin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-1H-isoquinolin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: (2-tert-butoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-tert-butoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-6-yl) ester Formula: C15H18F3NO6S MolecularWeight: 397.36673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC2=C(C1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC2=C(C1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO6S/c1-14(2,3)23-13(20)24-19-7-6-10-8-12(5-4-11(10)9-19)25-26(21,22)15(16,17)18/h4-5,8H,6-7,9H2,1-3H3