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(Q105153809)
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English
(2E,5R)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
220.055800624
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5R)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₂O₂S
0 references
canonical SMILES
O1C(C=CC12OCCC2)=CC=3SC=CC3
0 references
isomeric SMILES
C1=C[C@@]2(CCCO2)O/C1=C/c1cccs1
0 references
found in taxon
Glebionis coronaria
1 reference
stated in
New acetylenes fromChrysanthemum coronarium L.
Glebionis coronarium
1 reference
stated in
New acetylenes fromChrysanthemum coronarium L.
Identifiers
InChI
InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+/t12-/m1/s1
0 references
InChIKey
LLZQYUSTIRVCPF-BZYZDCJZSA-N
0 references
PubChem CID
163188049
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LLZQYUSTIRVCPF-BZYZDCJZSA-N
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