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English
[(2S)-2-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] (2R)-2-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[2-Chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] 2-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
332.063778464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₇ClO₂S
0 references
canonical SMILES
O=C(OCC(Cl)C#CC=1SC(C#CC#CC)=CC1)C(C)CC
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isomeric SMILES
CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)[C@H](C)CC)s1
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found in taxon
Cratystylis conocephala
1 reference
stated in
Eudesmanolides and other constituents from Cratystylis conocephala
Identifiers
InChI
InChI=1S/C18H17ClO2S/c1-4-6-7-8-16-11-12-17(22-16)10-9-15(19)13-21-18(20)14(3)5-2/h11-12,14-15H,5,13H2,1-3H3/t14-,15+/m1/s1
0 references
InChIKey
FENHLPQAMQSGQO-CABCVRRESA-N
0 references
PubChem CID
162936426
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FENHLPQAMQSGQO-CABCVRRESA-N
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