(2-methyl-4-methylsulfanyl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-methyl-4-methylsulfanyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (2-methyl-4-methylsulfanyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-methyl-4-(methylthio)phenyl] ester IUPAC Name: (2-methyl-4-methylsulfanylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-methyl-4-(methylthio)phenyl] ester Formula: C9H9F3O3S2 MolecularWeight: 286.29117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H9F3O3S2/c1-6-5-7(16-2)3-4-8(6)15-17(13,14)9(10,11)12/h3-5H,1-2H3