2-[2,6-dinitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylethanoic acid Openeye Name: 2-[2,6-dinitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylacetic acid CAS Name: 2-[2,6-dinitro-4-(trifluoromethylthio)phenyl]sulfonylacetic acid IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylacetic acid Traditional Name: 2-[2,6-dinitro-4-(trifluoromethylthio)phenyl]sulfonylacetic acid Formula: C9H5F3N2O8S2 MolecularWeight: 390.26981

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)CC(=O)O)[N+](=O)[O-])SC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)CC(=O)O)[N+](=O)[O-])SC(F)(F)F

InChI

InChI=1S/C9H5F3N2O8S2/c10-9(11,12)23-4-1-5(13(17)18)8(6(2-4)14(19)20)24(21,22)3-7(15)16/h1-2H,3H2,(H,15,16)