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(Q82772685)
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English
[(1S)-2-(3,3-Dimethylbut-1-yne-1-sulfinyl)-1-methoxyethyl]benzene
group of stereoisomers with the chemical formula C₁₅H₂₀O₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
264.11840088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(CS(=O)C#CC(C)(C)C)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@H](CS(=O)C#CC(C)(C)C)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H20O2S/c1-15(2,3)10-11-18(16)12-14(17-4)13-8-6-5-7-9-13/h5-9,14H,12H2,1-4H3/t14-,18?/m1/s1
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InChIKey
MIOPLJLDGINIBN-IKJXHCRLSA-N
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CAS Registry Number
649885-24-5
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PubChem CID
71377530
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53224536
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20800165
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DSSTOX compound identifier
DTXCID10750908
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