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(Q82278597)
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English
CHEMBL79227
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
245.2538
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₁NO₅S
0 references
canonical SMILES
CCOC(=O)C1=CC=C(C=C1)OS(=O)(=O)N
0 references
Identifiers
InChI
InChI=1S/C9H11NO5S/c1-2-14-9(11)7-3-5-8(6-4-7)15-16(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
0 references
InChIKey
FQDUPVULDGWSLO-UHFFFAOYSA-N
0 references
CAS Registry Number
479580-16-0
0 references
PubChem CID
11128562
1 reference
matched by identifier from
InChIKey
InChIKey
FQDUPVULDGWSLO-UHFFFAOYSA-N
UniChem compound ID
487323
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60456266
1 reference
matched by identifier from
InChIKey
InChIKey
FQDUPVULDGWSLO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50407085
0 references
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