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English
2H-Cycloocta[d][1,3]dithiol-2-one
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
193.986006812
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₆OS₂
0 references
canonical SMILES
O=c1sc2c(s1)/C=C\C=C/C=C\2
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C\1=C\C=C/C2=C(SC(=O)S2)\C=C1
0 references
Identifiers
InChI
InChI=1S/C9H6OS2/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?
0 references
InChIKey
KCXYVBVGYBOIQV-HTVHTIBLSA-N
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CAS Registry Number
189036-41-7
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PubChem CID
121232936
0 references
UniChem compound ID
147696976
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30774181
0 references
DSSTOX compound identifier
DTXCID30724924
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