(4-hexoxy-2-pyrimidin-2-yl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-hexoxy-2-pyrimidin-2-yl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (4-hexoxy-2-pyrimidin-2-yl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-hexoxy-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-hexoxy-2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-hexoxy-2-(2-pyrimidyl)phenyl] ester Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C2=NC=CC=N2

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C2=NC=CC=N2

InChI

InChI=1S/C17H19F3N2O4S/c1-2-3-4-5-11-25-13-7-8-15(26-27(23,24)17(18,19)20)14(12-13)16-21-9-6-10-22-16/h6-10,12H,2-5,11H2,1H3