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(Q76415171)
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English
ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
254.151809184
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₁₄H₂₂O₄
0 references
canonical SMILES
CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(CC)O[C@@H]1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC
0 references
Identifiers
InChI
InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
0 references
InChIKey
XZXCGRFGEVXWIT-FRRDWIJNSA-N
0 references
CAS Registry Number
204254-96-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10131259
1 reference
matched by identifier from
InChIKey
InChIKey
XZXCGRFGEVXWIT-FRRDWIJNSA-N
UniChem compound ID
8064484
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50942603
1 reference
matched by identifier from
InChIKey
InChIKey
XZXCGRFGEVXWIT-FRRDWIJNSA-N
UNII
6T6E34US7J
1 reference
matched by identifier from
InChIKey
InChIKey
XZXCGRFGEVXWIT-FRRDWIJNSA-N
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