[5-bromanyl-3-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-bromanyl-3-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: (3-benzyl-5-bromo-2-pyridyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-bromo-3-(phenylmethyl)-2-pyridinyl] ester IUPAC Name: (3-benzyl-5-bromopyridin-2-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-benzyl-5-bromo-2-pyridyl) ester Formula: C13H9BrF3NO3S MolecularWeight: 396.17967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CN=C2OS(=O)(=O)C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CN=C2OS(=O)(=O)C(F)(F)F)Br

InChI

InChI=1S/C13H9BrF3NO3S/c14-11-7-10(6-9-4-2-1-3-5-9)12(18-8-11)21-22(19,20)13(15,16)17/h1-5,7-8H,6H2