2-[2,6-dinitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2,6-dinitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2,6-dinitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid Traditional Name: 2-[(2,6-dinitro-4-triflyl-phenyl)thio]acetic acid Formula: C9H5F3N2O8S2 MolecularWeight: 390.26981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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