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English
Ethyl (2S)-1-(4-methylbenzene-1-sulfonyl)-2-(trifluoromethyl)aziridine-2-carboxylate
group of stereoisomers with the chemical formula C₁₃H₁₄F₃NO₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
337.059563588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄F₃NO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)C1(C(F)(F)F)CN1S(=O)(=O)c1ccc(C)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)[C@]1(C(F)(F)F)CN1S(=O)(=O)c1ccc(C)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H14F3NO4S/c1-3-21-11(18)12(13(14,15)16)8-17(12)22(19,20)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/t12-,17?/m0/s1
0 references
InChIKey
DTYJPFWFBVNTIU-WHUIICBVSA-N
0 references
CAS Registry Number
644976-57-8
0 references
PubChem CID
56837208
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DTYJPFWFBVNTIU-WHUIICBVSA-N
UniChem compound ID
33911048
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30718641
1 reference
matched by identifier from
InChIKey
InChIKey
DTYJPFWFBVNTIU-WHUIICBVSA-N
DSSTOX compound identifier
DTXCID90669387
0 references
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