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(Q82013735)
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English
N-[2-(2,4,5-trichlorophenoxy)propanoyl]methionine
chemical compound
N-[1-Hydroxy-2-(2,4,5-trichlorophenoxy)propylidene]methionine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
398.98656203199994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆Cl₃NO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CSCCC(NC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H16Cl3NO4S/c1-7(13(19)18-11(14(20)21)3-4-23-2)22-12-6-9(16)8(15)5-10(12)17/h5-7,11H,3-4H2,1-2H3,(H,18,19)(H,20,21)
0 references
InChIKey
NRUSDLROOFCNFQ-UHFFFAOYSA-N
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CAS Registry Number
5447-12-1
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7144-00-5
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PubChem CID
226379
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56523632
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20280428
0 references
DTXSID10991834
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DSSTOX compound identifier
DTXCID30231582
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DTXCID70877802
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NSC number
16773
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16774
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