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

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

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

Canonical SMILES:

CC(C(=O)O)SC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F


Isomeric SMILES

CC(C(=O)O)SC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F


InChI

InChI=1S/C10H8F3NO4S/c1-5(9(15)16)19-6-2-3-8(14(17)18)7(4-6)10(11,12)13/h2-5H,1H3,(H,15,16)


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