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(Q82509758)
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English
5-Chloro-2-{2-[(oxan-2-yl)oxy]ethoxy}benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
300.076451324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₇ClO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)c1cc(Cl)ccc1OCCOC1CCCCO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H17ClO5/c15-10-4-5-12(11(9-10)14(16)17)18-7-8-20-13-3-1-2-6-19-13/h4-5,9,13H,1-3,6-8H2,(H,16,17)
0 references
InChIKey
WZNFSLWVIQWXGC-UHFFFAOYSA-N
0 references
CAS Registry Number
834869-35-1
0 references
PubChem CID
21027704
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WZNFSLWVIQWXGC-UHFFFAOYSA-N
UniChem compound ID
30864346
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10610250
1 reference
matched by identifier from
InChIKey
InChIKey
WZNFSLWVIQWXGC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00561005
0 references
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