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

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethylsulfanyl)phenyl]amino]ethanoic acid Openeye Name: 2-[2,6-dinitro-4-(trifluoromethylsulfanyl)anilino]acetic acid CAS Name: 2-[2,6-dinitro-4-(trifluoromethylthio)anilino]acetic acid IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethylsulfanyl)anilino]acetic acid Traditional Name: 2-[2,6-dinitro-4-(trifluoromethylthio)anilino]acetic acid Formula: C9H6F3N3O6S MolecularWeight: 341.22065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3N3O6S/c10-9(11,12)22-4-1-5(14(18)19)8(13-3-7(16)17)6(2-4)15(20)21/h1-2,13H,3H2,(H,16,17)