2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylethanoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylacetic acid CAS Name: 2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonylacetic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylacetic acid Traditional Name: 2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonylacetic acid Formula: C9H6F3NO6S2 MolecularWeight: 345.27225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC(F)(F)F)[N+](=O)[O-])S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SC(F)(F)F)[N+](=O)[O-])S(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H6F3NO6S2/c10-9(11,12)20-5-1-2-7(6(3-5)13(16)17)21(18,19)4-8(14)15/h1-3H,4H2,(H,14,15)