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English
(5R)-5-Methyl-2-(phenylsulfanyl)cyclohexan-1-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
220.092186132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CCC(Sc2ccccc2)C(=O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CCC(Sc2ccccc2)C(=O)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H16OS/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13?/m1/s1
0 references
InChIKey
WVQHIPYOBZAUKX-VUUHIHSGSA-N
0 references
CAS Registry Number
101693-93-0
0 references
PubChem CID
14224252
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23211385
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40557644
0 references
DSSTOX compound identifier
DTXCID10508426
0 references
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