(6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6-oxo-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (6-oxo-2-phenyl-1-prop-2-ynyl-4-pyrimidinyl) ester IUPAC Name: (6-oxo-2-phenyl-1-prop-2-ynylpyrimidin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-keto-2-phenyl-1-propargyl-pyrimidin-4-yl) ester Formula: C14H9F3N2O4S MolecularWeight: 358.29247

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C=C(N=C1C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C#CCN1C(=O)C=C(N=C1C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H9F3N2O4S/c1-2-8-19-12(20)9-11(23-24(21,22)14(15,16)17)18-13(19)10-6-4-3-5-7-10/h1,3-7,9H,8H2