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(Q82990126)
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English
1-(2-{[(Ethylsulfanyl)carbonothioyl]sulfanyl}-4-hydroxy-2,3-dihydroazet-3-yl)ethyl 2,2,2-trichloroethyl carbonate
group of stereoisomers with the chemical formula C₁₁H₁₄Cl₃NO₄S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
424.91505396799994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄Cl₃NO₄S₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCSC(=S)SC1N=C(O)C1C(C)OC(=O)OCC(Cl)(Cl)Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCSC(=S)S[C@H]1NC(=O)C1C(C)OC(=O)OCC(Cl)(Cl)Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H14Cl3NO4S3/c1-3-21-10(20)22-8-6(7(16)15-8)5(2)19-9(17)18-4-11(12,13)14/h5-6,8H,3-4H2,1-2H3,(H,15,16)/t5?,6?,8-/m1/s1
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InChIKey
BYNCJUAQLFUBLA-NPWHJSNTSA-N
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CAS Registry Number
76431-30-6
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PubChem CID
44153750
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67093710
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60997821
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DSSTOX compound identifier
DTXCID301424820
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