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

Systemtic Name: (3-methyl-4-methylsulfonyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (3-methyl-4-methylsulfonyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-methyl-4-methylsulfonylphenyl) ester IUPAC Name: (3-methyl-4-methylsulfonylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-mesyl-3-methyl-phenyl) ester Formula: C9H9F3O5S2 MolecularWeight: 318.28997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F3O5S2/c1-6-5-7(3-4-8(6)18(2,13)14)17-19(15,16)9(10,11)12/h3-5H,1-2H3