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(Q82736729)
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English
Methyl (2R,3S)-3-(pentadecafluoroheptyl)oxirane-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
469.99991732
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₅F₁₅O₃
0 references
canonical SMILES
COC(=O)C1OC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)[C@H]1[C@H](O1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Identifiers
InChI
InChI=1S/C11H5F15O3/c1-28-4(27)2-3(29-2)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H,1H3/t2-,3+/m1/s1
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InChIKey
KGTDQQDUYGJAOG-GBXIJSLDSA-N
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CAS Registry Number
184007-51-0
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PubChem CID
71349448
1 reference
matched by identifier from
InChIKey
InChIKey
KGTDQQDUYGJAOG-GBXIJSLDSA-N
UniChem compound ID
43007571
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00775302
1 reference
matched by identifier from
InChIKey
InChIKey
KGTDQQDUYGJAOG-GBXIJSLDSA-N
DSSTOX compound identifier
DTXCID90726045
0 references
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