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(Q105195961)
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English
{5-[(3E)-4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methyl 3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
314.097665436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₈O₃S
0 references
canonical SMILES
O=C(OCC=1SC(C#CC=CC=2OC=CC2)=CC1)CC(C)C
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isomeric SMILES
CC(C)CC(=O)OCc1ccc(C#C/C=C/c2ccco2)s1
1 reference
based on heuristic
inferred from InChI
found in taxon
Santolina chamaecyparissus
1 reference
stated in
Chemical Constituents of Santolina chamaecyparissus.
Santolina rosmarinifolia
1 reference
stated in
Polyacetylenverbindungen, 214. Über die Inhaltsstoffe vonSantolina rosmarinifolia L.
Identifiers
InChI
InChI=1S/C18H18O3S/c1-14(2)12-18(19)21-13-17-10-9-16(22-17)8-4-3-6-15-7-5-11-20-15/h3,5-7,9-11,14H,12-13H2,1-2H3/b6-3+
0 references
InChIKey
OPCASUWOGKPNAT-ZZXKWVIFSA-N
0 references
PubChem CID
14465017
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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