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(Q82132060)
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English
4-(Pyrrolidine-1-sulfonyl)-benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
255.056528896
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₃NO₄S
0 references
canonical SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
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Identifiers
InChI
InChI=1S/C11H13NO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14)
0 references
InChIKey
LTIXOYIZMIXNIK-UHFFFAOYSA-N
0 references
CAS Registry Number
19580-33-7
0 references
PubChem CID
763651
1 reference
matched by identifier from
InChIKey
InChIKey
LTIXOYIZMIXNIK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL3350798
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LTIXOYIZMIXNIK-UHFFFAOYSA-N
UniChem compound ID
949317
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70354103
1 reference
matched by identifier from
InChIKey
InChIKey
LTIXOYIZMIXNIK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20305165
0 references
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