[2-(5-hexoxypyrimidin-2-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(5-hexoxypyrimidin-2-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(5-hexoxypyrimidin-2-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-hexoxypyrimidin-2-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O4S/c1-2-3-4-7-10-25-13-11-21-16(22-12-13)14-8-5-6-9-15(14)26-27(23,24)17(18,19)20/h5-6,8-9,11-12H,2-4,7,10H2,1H3