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(Q82152362)
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English
ST50618699
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
375.0888916439999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₇N₃O₅S
0 references
canonical SMILES
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C
0 references
Identifiers
InChI
InChI=1S/C17H17N3O5S/c1-17(2)7-10-14(12(21)8-17)26-16(18-10)19-15(22)9-4-5-13(25-3)11(6-9)20(23)24/h4-6H,7-8H2,1-3H3,(H,18,19,22)
0 references
InChIKey
BNUPBCXRWVQOER-UHFFFAOYSA-N
0 references
CAS Registry Number
606922-91-2
0 references
PubChem CID
2188775
1 reference
matched by identifier from
InChIKey
InChIKey
BNUPBCXRWVQOER-UHFFFAOYSA-N
UniChem compound ID
8221607
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20366897
1 reference
matched by identifier from
InChIKey
InChIKey
BNUPBCXRWVQOER-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70317935
0 references
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