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(Q105124387)
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English
[2-Chloro-2-(3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)ethyl] acetate
group of stereoisomers with the chemical formula C₁₂H₁₅ClO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
ochtodane monoterpenoids
1 reference
inferred from
ochtodane monoterpenoids
mass
242.07097202
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅ClO₃
0 references
canonical SMILES
O=C1C=CC(C=C1C(Cl)COC(=O)C)(C)C
0 references
found in taxon
Portieria hornemannii
1 reference
stated in
Halogenated Monoterpenes Having a Cyclohexadienone from the Red AlgaPortieria Hornemanni
Identifiers
InChI
InChI=1S/C12H15ClO3/c1-8(14)16-7-10(13)9-6-12(2,3)5-4-11(9)15/h4-6,10H,7H2,1-3H3
0 references
InChIKey
JBJWKAWHSIQLQT-UHFFFAOYSA-N
0 references
PubChem CID
13985281
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JBJWKAWHSIQLQT-UHFFFAOYSA-N
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