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CHEBI:93918 - 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester

ChEBI IDCHEBI:93918
ChEBI Name2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester
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FormulaC15H9ClF3NO5S
Net Charge0
Average Mass407.753
Monoisotopic Mass406.98421
SMILESO=C(CS(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF3NO5S/c16-10-2-4-11(5-3-10)25-14(21)8-26(24)13-6-1-9(15(17,18)19)7-12(13)20(22)23/h1-7H,8H2
InChIKeyQYOVKDKSKVPVHI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester (CHEBI:93918) is a benzoate ester (CHEBI:36054)
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester (CHEBI:93918) is a phenols (CHEBI:33853)
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LSM-4496LINCS