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(Q82238521)
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English
AC1OABMY
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
468.98858555199985
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₁N₃O₁₀S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C(=NNc2ccc([N+](=O)[O-])cc2)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)cc(O)c21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H11N3O10S2/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23/h1-7,17,20H,(H,24,25,26)(H,27,28,29)
0 references
InChIKey
UULGUJAPXLMUNO-UHFFFAOYSA-N
0 references
CAS Registry Number
4682-47-7
0 references
ChemSpider ID
23351180
0 references
PubChem CID
68361
0 references
UniChem compound ID
26599719
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30425621
1 reference
matched by identifier from
InChIKey
InChIKey
UULGUJAPXLMUNO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60376455
0 references
EC number
610-321-3
0 references
ECHA Substance Infocard ID
100.106.638
0 references
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