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(Q82207536)
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English
3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
397.98948322399997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₂Cl₂N₂O₄S
0 references
canonical SMILES
C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O
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Identifiers
InChI
InChI=1S/C16H12Cl2N2O4S/c17-10-4-5-13(12(18)7-10)24-8-14(21)20-16(25)19-11-3-1-2-9(6-11)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)
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InChIKey
FGPRTLWTFUCJGW-UHFFFAOYSA-N
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CAS Registry Number
433690-46-1
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PubChem CID
4505229
1 reference
matched by identifier from
InChIKey
InChIKey
FGPRTLWTFUCJGW-UHFFFAOYSA-N
UniChem compound ID
67007923
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00403759
1 reference
matched by identifier from
InChIKey
InChIKey
FGPRTLWTFUCJGW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20354613
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