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(Q82653035)
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English
3-hexyl-4-hydroxy-6-undecyl-5,6-dihydro-2H-pyran-2-one
pair of enantiomers
(±)-3-hexyl-5,6-dihydro-4-hydroxy-6-undecyl-2H-Pyran-2-one
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
352.29774513999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₄₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCC1CC(O)=C(CCCCCC)C(=O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H40O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19,23H,3-18H2,1-2H3
0 references
InChIKey
BLXCWAINNUGTQE-UHFFFAOYSA-N
0 references
CAS Registry Number
112764-00-8
reason for deprecated rank
applies to other chemical entity
0 references
136890-21-6
1 reference
InChIKey
BLXCWAINNUGTQE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=136890-21-6
PubChem CID
54684708
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42208509
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00715743
0 references
DTXSID301010283
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DSSTOX compound identifier
DTXCID60666489
0 references
DTXCID80992737
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