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(Q82757407)
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English
2-[3-Oxo-3-(thiophen-2-yl)propanoyl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
274.02997980000004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₀O₄S
0 references
canonical SMILES
C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC=CS2)C(=O)O
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Identifiers
InChI
InChI=1S/C14H10O4S/c15-11(8-12(16)13-6-3-7-19-13)9-4-1-2-5-10(9)14(17)18/h1-7H,8H2,(H,17,18)
0 references
InChIKey
DOOKMFYJFGTQJZ-UHFFFAOYSA-N
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CAS Registry Number
50454-38-1
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PubChem CID
71366579
1 reference
matched by identifier from
InChIKey
InChIKey
DOOKMFYJFGTQJZ-UHFFFAOYSA-N
UniChem compound ID
60394735
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50789934
1 reference
matched by identifier from
InChIKey
InChIKey
DOOKMFYJFGTQJZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60740677
0 references
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