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(Q82085191)
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English
(1-ethenylcyclohexyl) 3,5-dinitrobenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
320.2979
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆N₂O₆
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canonical SMILES
C=CC1(CCCCC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C15H16N2O6/c1-2-15(6-4-3-5-7-15)23-14(18)11-8-12(16(19)20)10-13(9-11)17(21)22/h2,8-10H,1,3-7H2
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InChIKey
BHSWHRDJOJWZAS-UHFFFAOYSA-N
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CAS Registry Number
29338-78-1
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PubChem CID
349038
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UniChem compound ID
43096087
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80325086
1 reference
matched by identifier from
InChIKey
InChIKey
BHSWHRDJOJWZAS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00276203
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NSC number
408587
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