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(Q82907763)
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English
2-Methyl-1,3lambda~4~-benzodithiol-1(2H)-one
group of stereoisomers with the chemical formula C₈H₈OS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
184.001656876
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₈OS₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1Sc2ccccc2S1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1Sc2ccccc2S1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H8OS2/c1-6-10-7-4-2-3-5-8(7)11(6)9/h2-6H,1H3/t6-,11?/m0/s1
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InChIKey
ROEQPRNLZVTHLP-OCAOPBLFSA-N
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CAS Registry Number
143788-52-7
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PubChem CID
178729
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66409255
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00932099
0 references
DSSTOX compound identifier
DTXCID901360795
0 references
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