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(Q82099343)
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Pentamethylnitrobenzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
p-nitrophenyl polyketide
1 reference
based on heuristic
inferred from SMILES
mass
193.11027872
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₅NO₂
0 references
canonical SMILES
CC1=C(C(=C(C(=C1C)C)[N+](=O)[O-])C)C
0 references
Identifiers
InChI
InChI=1S/C11H15NO2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3
0 references
InChIKey
RBDSUVKUGRWOPC-UHFFFAOYSA-N
0 references
CAS Registry Number
13171-59-0
0 references
PubChem CID
518726
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RBDSUVKUGRWOPC-UHFFFAOYSA-N
UniChem compound ID
25854091
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50333810
1 reference
matched by identifier from
InChIKey
InChIKey
RBDSUVKUGRWOPC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60284900
0 references
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