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English
Ethyl [(1S)-1-ethynyl-2,3-dihydroxycyclopentyl]acetate
group of stereoisomers with the chemical formula C₁₁H₁₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
212.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CC1(CC(=O)OCC)CCC(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C#C[C@@]1(CC(=O)OCC)CCC(O)C1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H16O4/c1-3-11(7-9(13)15-4-2)6-5-8(12)10(11)14/h1,8,10,12,14H,4-7H2,2H3/t8?,10?,11-/m0/s1
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InChIKey
ZPKJVEGCCSOIAI-RFBVYIQQSA-N
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CAS Registry Number
545363-19-7
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PubChem CID
57358226
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48562988
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20724054
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DSSTOX compound identifier
DTXCID90674799
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