5-(trifluoromethylsulfanylsulfonyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(trifluoromethylsulfanylsulfonyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(trifluoromethylsulfanylsulfonyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(trifluoromethylthio)sulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-(trifluoromethylsulfanylsulfonyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(trifluoromethylthio)sulfonylisophthalic acid Formula: C9H5F3O6S2 MolecularWeight: 330.25761

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)S(=O)(=O)SC(F)(F)F)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)S(=O)(=O)SC(F)(F)F)C(=O)O

InChI

InChI=1S/C9H5F3O6S2/c10-9(11,12)19-20(17,18)6-2-4(7(13)14)1-5(3-6)8(15)16/h1-3H,(H,13,14)(H,15,16)