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(Q105192606)
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English
(2S)-2-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyne-1-ol
1 reference
based on heuristic
inferred from SMILES
mass
248.006263588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₉ClOS
0 references
canonical SMILES
ClC(C#CC=1SC(C#CC#CC)=CC1)CO
0 references
isomeric SMILES
CC#CC#Cc1ccc(C#C[C@H](Cl)CO)s1
0 references
found in taxon
Acroptilon repens
1 reference
stated in
Phytotoxic polyacetylenes from roots of Russian knapweed (Acroptilon repens (L.) DC.).
Rhaponticum repens
1 reference
stated in
Phytotoxic polyacetylenes from roots of Russian knapweed (Acroptilon repens (L.) DC.).
Pluchea dioscoridis
1 reference
stated in
New .ALPHA.-cyclocostunolide and isocostic acid derivatives from Pluchea dioscoridis.
Identifiers
InChI
InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(14)10-15/h8-9,11,15H,10H2,1H3/t11-/m0/s1
0 references
InChIKey
OIMRGFPTZIUKNX-NSHDSACASA-N
0 references
PubChem CID
162921304
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OIMRGFPTZIUKNX-NSHDSACASA-N
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