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(Q82900279)
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English
Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
group of stereoisomers with the chemical formula C₈H₈O₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
200.014329736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₈O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1CS(=O)C2C3OC(C4OC43)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1CS(=O)[C@H]2[C@H]3O[C@H]([C@@H]4O[C@@H]43)[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H8O4S/c9-2-1-13(10)8-3(2)4-5-6(12-5)7(8)11-4/h3-8H,1H2/t3-,4+,5+,6+,7+,8-,13?/m1/s1
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InChIKey
JBQLUJNOBUHWSZ-ZAMCYODWSA-N
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CAS Registry Number
127311-87-9
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PubChem CID
3080108
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
47469687
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40925849
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DSSTOX compound identifier
DTXCID101354673
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