[4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(5-decyl-2-pyrimidinyl)-2-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-2-fluorophenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] ester Formula: C21H26F4N2O3S MolecularWeight: 462.501353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)F

InChI

InChI=1S/C21H26F4N2O3S/c1-2-3-4-5-6-7-8-9-10-16-14-26-20(27-15-16)17-11-12-19(18(22)13-17)30-31(28,29)21(23,24)25/h11-15H,2-10H2,1H3