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(Q82235077)
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English
MLS002638894
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
333.07832696
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₅N₃O₄S
0 references
canonical SMILES
C/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=N/NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])/CC2=CC=CC=C2
0 references
Identifiers
InChI
InChI=1S/C15H15N3O4S/c1-12(11-13-5-3-2-4-6-13)16-17-23(21,22)15-9-7-14(8-10-15)18(19)20/h2-10,17H,11H2,1H3/b16-12-
0 references
InChIKey
MDLYJQMAOSZFKC-VBKFSLOCSA-N
0 references
CAS Registry Number
6949-44-6
0 references
PubChem CID
6381949
1 reference
matched by identifier from
InChIKey
InChIKey
MDLYJQMAOSZFKC-VBKFSLOCSA-N
UniChem compound ID
63940398
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80422983
1 reference
matched by identifier from
InChIKey
InChIKey
MDLYJQMAOSZFKC-VBKFSLOCSA-N
DSSTOX compound identifier
DTXCID00373822
0 references
NSC number
22650
0 references
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