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(Q105112828)
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English
(1R)-2-chloro-1-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
281.993984652
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₁ClOS₂
0 references
canonical SMILES
ClCC(O)C=1SC(=CC1)C=2SC(C#CC)=CC2
0 references
isomeric SMILES
CC#Cc1ccc(-c2ccc([C@@H](O)CCl)s2)s1
0 references
found in taxon
Cratystylis conocephala
1 reference
stated in
Eudesmanolides and other constituents from Cratystylis conocephala
Epaltes brasiliensis
1 reference
stated in
Eudesmane derivatives from Epaltes brasiliensis
Identifiers
InChI
InChI=1S/C13H11ClOS2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,15H,8H2,1H3/t10-/m0/s1
0 references
InChIKey
IGVMEXFYGCEVQU-JTQLQIEISA-N
0 references
PubChem CID
86311096
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
98019333
1 reference
stated in
UniChem
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