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English
O-[2-(Butane-1-sulfinyl)ethyl] O-ethyl methylphosphonothioate
group of stereoisomers with the chemical formula C₉H₂₁O₃PS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
272.066973162
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₂₁O₃PS₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCS(=O)CCOP(C)(=S)OCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC[S@](=O)CCOP(C)(=S)OCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H21O3PS2/c1-4-6-8-15(10)9-7-12-13(3,14)11-5-2/h4-9H2,1-3H3/t13?,15-/m0/s1
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InChIKey
NEEBKSHUBUDZFY-WUJWULDRSA-N
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CAS Registry Number
53151-70-5
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PubChem CID
9578120
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52390825
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10967675
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DSSTOX compound identifier
DTXCID601395270
0 references
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