2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanoate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanoate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate Formula: C10H5F6O4S- MolecularWeight: 335.199719

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)CC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H6F6O4S/c11-9(12,13)5-1-6(10(14,15)16)3-7(2-5)21(19,20)4-8(17)18/h1-3H,4H2,(H,17,18)/p-1