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(Q82195177)
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English
methyl 4-tert-butyl-3,5-dinitrobenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
282.085186168
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₄N₂O₆
0 references
canonical SMILES
CC(C)(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C12H14N2O6/c1-12(2,3)10-8(13(16)17)5-7(11(15)20-4)6-9(10)14(18)19/h5-6H,1-4H3
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InChIKey
VPPPGGOGBHVDEP-UHFFFAOYSA-N
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CAS Registry Number
61544-78-3
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PubChem CID
3700881
1 reference
matched by identifier from
InChIKey
InChIKey
VPPPGGOGBHVDEP-UHFFFAOYSA-N
UniChem compound ID
3196065
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70395233
1 reference
matched by identifier from
InChIKey
InChIKey
VPPPGGOGBHVDEP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60346092
0 references
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