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(Q82207929)
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English
9,10-Anthracenedione, 2-chloro-1,5-dinitro-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic anthraquinones
1 reference
based on heuristic
inferred from SMILES
mass
331.9836135599999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₅ClN₂O₆
0 references
canonical SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3)Cl)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C14H5ClN2O6/c15-8-5-4-7-11(12(8)17(22)23)14(19)6-2-1-3-9(16(20)21)10(6)13(7)18/h1-5H
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InChIKey
PEQIAOSDMRAEPJ-UHFFFAOYSA-N
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CAS Registry Number
29311-47-5
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PubChem CID
4531930
1 reference
matched by identifier from
InChIKey
InChIKey
PEQIAOSDMRAEPJ-UHFFFAOYSA-N
UniChem compound ID
1431737
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00403996
1 reference
matched by identifier from
InChIKey
InChIKey
PEQIAOSDMRAEPJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20354850
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