[6-(4-oxidanyloxan-4-yl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(4-oxidanyloxan-4-yl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-6-(4-hydroxytetrahydropyran-4-yl)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(4-hydroxy-4-oxanyl)-2-(phenylmethyl)-3-pyridinyl] ester IUPAC Name: [2-benzyl-6-(4-hydroxyoxan-4-yl)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-6-(4-hydroxytetrahydropyran-4-yl)-3-pyridyl] ester Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3)O

Isomeric SMILES

C1COCCC1(C2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H18F3NO5S/c19-18(20,21)28(24,25)27-15-6-7-16(17(23)8-10-26-11-9-17)22-14(15)12-13-4-2-1-3-5-13/h1-7,23H,8-12H2