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(Q83079335)
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English
Acetic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 3-pyridinylmethyl ester
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
367.09752111599994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₈ClNO₃
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canonical SMILES
C1=CC(=CN=C1)COC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
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Identifiers
InChI
InChI=1S/C21H18ClNO3/c22-19-7-3-16(4-8-19)12-17-5-9-20(10-6-17)25-15-21(24)26-14-18-2-1-11-23-13-18/h1-11,13H,12,14-15H2
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InChIKey
LIEKKOSECRQYGL-UHFFFAOYSA-N
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CAS Registry Number
57081-56-8
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PubChem CID
42125
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UniChem compound ID
27097657
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30205703
1 reference
matched by identifier from
InChIKey
InChIKey
LIEKKOSECRQYGL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20128194
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