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2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfanylethanoic acid

2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfanylethanoic acid

Systemtic Name:2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfanylethanoic acid
Openeye Name:2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfanylacetic acid
CAS Name:2-[[2-nitro-4-(trifluoromethylsulfinyl)phenyl]thio]acetic acid
IUPAC Name:2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfanylacetic acid
Traditional Name:2-[[2-nitro-4-(trifluoromethylsulfinyl)phenyl]thio]acetic acid
Formula: C9H6F3NO5S2
MolecularWeight: 329.27285
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)O


Isomeric SMILES

C1=CC(=C(C=C1S(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)O


InChI

InChI=1S/C9H6F3NO5S2/c10-9(11,12)20(18)5-1-2-7(19-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)


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