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(Q82015338)
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English
4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
597.7625573280003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₄Br₄O₄
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canonical SMILES
CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
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Identifiers
InChI
InChI=1S/C17H14Br4O4/c1-17(3-2-14(22)23,8-4-10(18)15(24)11(19)5-8)9-6-12(20)16(25)13(21)7-9/h4-7,24-25H,2-3H2,1H3,(H,22,23)
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InChIKey
OFLOJYUEVWVCRY-UHFFFAOYSA-N
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CAS Registry Number
16733-29-2
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PubChem CID
228569
1 reference
matched by identifier from
InChIKey
InChIKey
OFLOJYUEVWVCRY-UHFFFAOYSA-N
UniChem compound ID
881453
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40281412
1 reference
matched by identifier from
InChIKey
InChIKey
OFLOJYUEVWVCRY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00232566
0 references
NSC number
21588
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