(3-methyl-4-methylsulfinyl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-methyl-4-methylsulfinyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (3-methyl-4-methylsulfinyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-methyl-4-methylsulfinylphenyl) ester IUPAC Name: (3-methyl-4-methylsulfinylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-methyl-4-methylsulfinyl-phenyl) ester Formula: C9H9F3O4S2 MolecularWeight: 302.29057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F3O4S2/c1-6-5-7(3-4-8(6)17(2)13)16-18(14,15)9(10,11)12/h3-5H,1-2H3