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

Systemtic Name: [2-(5-heptoxypyrimidin-2-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(5-heptoxypyrimidin-2-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-heptoxypyrimidin-2-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C18H21F3N2O4S MolecularWeight: 418.43055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O4S/c1-2-3-4-5-8-11-26-14-12-22-17(23-13-14)15-9-6-7-10-16(15)27-28(24,25)18(19,20)21/h6-7,9-10,12-13H,2-5,8,11H2,1H3