3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]propionic acid Formula: C10H8F3NO4S MolecularWeight: 295.23503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C10H8F3NO4S/c11-10(12,13)6-1-2-8(7(5-6)14(17)18)19-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)