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(Q82006496)
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English
(4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
400.22497412399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC(CC)COCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H32O5/c1-3-5-9-18(4-2)15-28-16-20(25)17-29-21-12-13-22(23(26)14-21)24(27)19-10-7-6-8-11-19/h6-8,10-14,18,20,25-26H,3-5,9,15-17H2,1-2H3
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InChIKey
YBLOFDISPDJCKP-UHFFFAOYSA-N
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CAS Registry Number
5429-06-1
0 references
PubChem CID
113448
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42262499
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70276134
0 references
DSSTOX compound identifier
DTXCID00227477
0 references
NSC number
13350
0 references
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