[5-bromanyl-4-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-bromanyl-4-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: (4-benzyl-5-bromo-2-pyridyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-bromo-4-(phenylmethyl)-2-pyridinyl] ester IUPAC Name: (4-benzyl-5-bromopyridin-2-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-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(=NC=C2Br)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NC=C2Br)OS(=O)(=O)C(F)(F)F

InChI

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