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(Q83002995)
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English
2-Ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydro-4H-pyran-4-one
group of stereoisomers with the chemical formula C₁₄H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
238.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(=O)C(C)C1=C(C)C(=O)C(C)C(CC)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(=O)C(C)C1=C(C)C(=O)[C@H](C)[C@H](CC)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H22O3/c1-6-11(15)8(3)14-10(5)13(16)9(4)12(7-2)17-14/h8-9,12H,6-7H2,1-5H3/t8?,9-,12+/m1/s1
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InChIKey
GOXHJNFKZUOQCT-IBMSWFNTSA-N
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CAS Registry Number
86797-89-9
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PubChem CID
159006
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52198755
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801007083
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DSSTOX compound identifier
DTXCID701433944
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