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(Q82377998)
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English
2-Chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
290.016828272
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₁ClO₂S
0 references
canonical SMILES
O=C(OCC(Cl)C#CC=1SC(C#CC#CC)=CC1)C
0 references
found in taxon
Pluchea dioscoridis
1 reference
stated in
Eudesmanolides from Pluchea dioscoridis
Identifiers
InChI
InChI=1S/C15H11ClO2S/c1-3-4-5-6-14-9-10-15(19-14)8-7-13(16)11-18-12(2)17/h9-10,13H,11H2,1-2H3
0 references
InChIKey
ATXWWAJKDXZDBZ-UHFFFAOYSA-N
0 references
CAS Registry Number
1152-72-3
0 references
PubChem CID
13051301
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ATXWWAJKDXZDBZ-UHFFFAOYSA-N
UniChem compound ID
65581112
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00516530
1 reference
matched by identifier from
InChIKey
InChIKey
ATXWWAJKDXZDBZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00467336
0 references
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