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

Systemtic Name: (4-heptoxy-2-pyrimidin-2-yl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (4-heptoxy-2-pyrimidin-2-yl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-heptoxy-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-heptoxy-2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-heptoxy-2-(2-pyrimidyl)phenyl] ester Formula: C18H21F3N2O4S MolecularWeight: 418.43055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C2=NC=CC=N2

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C2=NC=CC=N2

InChI

InChI=1S/C18H21F3N2O4S/c1-2-3-4-5-6-12-26-14-8-9-16(27-28(24,25)18(19,20)21)15(13-14)17-22-10-7-11-23-17/h7-11,13H,2-6,12H2,1H3