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(Q81983237)
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English
(2E)-3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]acrylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
353.087492588
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₁₄F₃NO₄
0 references
canonical SMILES
CO/C=C(/C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)O
0 references
Identifiers
InChI
InChI=1S/C17H14F3NO4/c1-24-10-13(16(22)23)12-6-3-2-5-11(12)9-25-15-8-4-7-14(21-15)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,23)/b13-10+
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InChIKey
HUGINNZOWWNDGC-JLHYYAGUSA-N
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CAS Registry Number
1429767-29-2
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PubChem CID
66916405
1 reference
matched by identifier from
InChIKey
InChIKey
HUGINNZOWWNDGC-JLHYYAGUSA-N
SureChEMBL ID
SCHEMBL1132765
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUGINNZOWWNDGC-JLHYYAGUSA-N
UniChem compound ID
31458043
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40904639
1 reference
matched by identifier from
InChIKey
InChIKey
HUGINNZOWWNDGC-JLHYYAGUSA-N
DSSTOX compound identifier
DTXCID901333758
0 references
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