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(Q82293122)
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English
1-Octyne, 4-ethenylidene-3-(1-ethoxyethoxy)-, (3S)-
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
222.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CC(OC(C)OCC)C(=C=C)CCCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C#C[C@H](OC(C)OCC)C(=C=C)CCCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H22O2/c1-6-10-11-13(7-2)14(8-3)16-12(5)15-9-4/h3,12,14H,2,6,9-11H2,1,4-5H3/t12?,14-/m0/s1
0 references
InChIKey
IVKHBSZJDHJIDY-PYMCNQPYSA-N
0 references
CAS Registry Number
651020-91-6
0 references
PubChem CID
11458721
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
33368402
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70466538
0 references
DSSTOX compound identifier
DTXCID60417357
0 references
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