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(Q82207564)
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English
4-[[2-(2,4-dimethylphenoxy)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
358.09872805599986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₈N₂O₄S
0 references
canonical SMILES
CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)C
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Identifiers
InChI
InChI=1S/C18H18N2O4S/c1-11-3-8-15(12(2)9-11)24-10-16(21)20-18(25)19-14-6-4-13(5-7-14)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
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InChIKey
NMPLFCSNXKOPSA-UHFFFAOYSA-N
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CAS Registry Number
586391-32-4
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PubChem CID
4505705
1 reference
matched by identifier from
InChIKey
InChIKey
NMPLFCSNXKOPSA-UHFFFAOYSA-N
UniChem compound ID
45953419
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60403775
1 reference
matched by identifier from
InChIKey
InChIKey
NMPLFCSNXKOPSA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30354629
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