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(Q72456310)
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English
1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
chemical compound
2-(4-Chloro-3-hydroxy-1-butynyl)-5-(1,3-pentadiynyl)thiophene
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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
0 references
found in taxon
Pterocaulon balansae
1 reference
stated in
Coumarins from Pterocaulon balansae and P. lanatum
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
0 references
InChIKey
YSYBCKHAFOAQDX-UHFFFAOYSA-N
0 references
CAS Registry Number
26905-70-4
0 references
PubChem CID
5315834
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YSYBCKHAFOAQDX-UHFFFAOYSA-N
UniChem compound ID
50637553
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60415691
1 reference
matched by identifier from
InChIKey
InChIKey
YSYBCKHAFOAQDX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30366540
0 references
LIPID MAPS ID
LMFA12000348
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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