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(Q82041269)
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English
Benzoic acid, 3,5-dinitro-, sec-butyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
268.069536104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂N₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H12N2O6/c1-3-7(2)19-11(14)8-4-9(12(15)16)6-10(5-8)13(17)18/h4-7H,3H2,1-2H3
0 references
InChIKey
SWFWVZZGOVUDMH-UHFFFAOYSA-N
0 references
CAS Registry Number
7510-57-8
1 reference
InChIKey
SWFWVZZGOVUDMH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=7510-57-8
PubChem CID
278422
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61710396
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70299080
0 references
DSSTOX compound identifier
DTXCID70250217
0 references
NSC number
127996
0 references
405735
0 references
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