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(Q105361168)
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English
(2S)-1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
248.006263588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₉ClOS
0 references
canonical SMILES
ClCC(O)C#CC=1SC(C#CC#CC)=CC1
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isomeric SMILES
CC#CC#Cc1ccc(C#C[C@H](O)CCl)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.).
Eclipta alba
1 reference
stated in
Polyacetylenverbindungen, 173. Über die Inhaltsstoffe ausEclipta erecta L.
Eclipta prostrata
1 reference
stated in
Polyacetylenverbindungen, 173. Über die Inhaltsstoffe ausEclipta erecta L.
Epaltes brasiliensis
1 reference
stated in
Eudesmane derivatives from Epaltes brasiliensis
Pterocaulon balansae
1 reference
stated in
Polyacetylenes from pterocaulon species
Pterocaulon lanatum
1 reference
stated in
Polyacetylenes from pterocaulon species
Pterocaulon rugosum
1 reference
stated in
Polyacetylenes from pterocaulon species
Pterocaulon virgatum
1 reference
stated in
Thiophene acetylenes and flavanols from Pterocaulon virgatum
Identifiers
InChI
InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3/t11-/m0/s1
0 references
InChIKey
YSYBCKHAFOAQDX-NSHDSACASA-N
0 references
PubChem CID
86310851
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSYBCKHAFOAQDX-NSHDSACASA-N
UniChem compound ID
98019267
1 reference
stated in
UniChem
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