3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]propionic acid Formula: C10H7F3N2O6S MolecularWeight: 340.23259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N2O6S/c11-10(12,13)5-3-6(14(18)19)9(7(4-5)15(20)21)22-2-1-8(16)17/h3-4H,1-2H2,(H,16,17)