methyl 2,4,5-tris(fluoranyl)-3-sulfooxy-benzoate

Systemtic Name: methyl 2,4,5-tris(fluoranyl)-3-sulfooxy-benzoate Openeye Name: methyl 2,4,5-trifluoro-3-sulfooxy-benzoate CAS Name: 2,4,5-trifluoro-3-sulfooxybenzoic acid methyl ester IUPAC Name: methyl 2,4,5-trifluoro-3-sulfooxybenzoate Traditional Name: 2,4,5-trifluoro-3-sulfoxy-benzoic acid methyl ester Formula: C8H5F3O6S MolecularWeight: 286.18191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1F)OS(=O)(=O)O)F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1F)OS(=O)(=O)O)F)F

InChI

InChI=1S/C8H5F3O6S/c1-16-8(12)3-2-4(9)6(11)7(5(3)10)17-18(13,14)15/h2H,1H3,(H,13,14,15)