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(Q83011692)
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English
2,4,6-Trinitrophenylglutamic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
358.03969251999996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₀N₄O₁₀
0 references
canonical SMILES
O=C(O)CCC(Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N[C@@H](CCC(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C11H10N4O10/c16-9(17)2-1-6(11(18)19)12-10-7(14(22)23)3-5(13(20)21)4-8(10)15(24)25/h3-4,6,12H,1-2H2,(H,16,17)(H,18,19)/t6-/m0/s1
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InChIKey
HKLNGIOGRQNJQZ-LURJTMIESA-N
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CAS Registry Number
1049-19-0
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PubChem CID
150874
1 reference
matched by identifier from
InChIKey
InChIKey
HKLNGIOGRQNJQZ-LURJTMIESA-N
UniChem compound ID
44994918
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30146809
1 reference
matched by identifier from
InChIKey
InChIKey
HKLNGIOGRQNJQZ-LURJTMIESA-N
DSSTOX compound identifier
DTXCID3069300
0 references
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