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(Q105196027)
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English
(2E)-5-{5-[(1E)-buta-1,3-dien-1-yl]thiophen-2-yl}pent-2-en-4-yn-1-yl 3-hydroxy-3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
316.1133155
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀O₃S
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canonical SMILES
O=C(OCC=CC#CC=1SC(C=CC=C)=CC1)CC(O)(C)C
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isomeric SMILES
C=C/C=C/c1ccc(C#C/C=C/COC(=O)CC(C)(C)O)s1
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found in taxon
Coreopsis verticillata
1 reference
stated in
Polyacetylenverbindungen, 176. Über die Inhaltsstoffe vonCoreopsis verticillata L
Identifiers
InChI
InChI=1S/C18H20O3S/c1-4-5-9-15-11-12-16(22-15)10-7-6-8-13-21-17(19)14-18(2,3)20/h4-6,8-9,11-12,20H,1,13-14H2,2-3H3/b8-6+,9-5+
0 references
InChIKey
OPEZFDPWJXJSJR-RFSWUZDDSA-N
0 references
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