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(Q82873207)
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English
Butan-2-yl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-alaninate
group of stereoisomers with the chemical formula C₁₁H₁₄F₇NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
341.086190848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄F₇NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)OC(=O)C(C)N=C(O)C(F)(F)C(F)(F)C(F)(F)F
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)OC(=O)[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H14F7NO3/c1-4-5(2)22-7(20)6(3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21)/t5?,6-/m1/s1
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InChIKey
BJEXEPYIVRVXQT-PRJDIBJQSA-N
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CAS Registry Number
93080-42-3
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PubChem CID
91979311
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
101687700
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80896721
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DSSTOX compound identifier
DTXCID001326211
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