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(Q82061307)
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(4-Nitrophenyl)methanesulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
p-nitrophenyl polyketide
1 reference
based on heuristic
inferred from SMILES
mass
217.004493324
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₇NO₅S
0 references
canonical SMILES
C1=CC(=CC=C1CS(=O)(=O)O)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C7H7NO5S/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H,11,12,13)
0 references
InChIKey
VWLGQKLHWIVCCZ-UHFFFAOYSA-N
0 references
CAS Registry Number
53992-33-9
0 references
PubChem CID
316247
1 reference
matched by identifier from
InChIKey
InChIKey
VWLGQKLHWIVCCZ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL294285
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VWLGQKLHWIVCCZ-UHFFFAOYSA-N
UniChem compound ID
25650681
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00311527
1 reference
matched by identifier from
InChIKey
InChIKey
VWLGQKLHWIVCCZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70262653
0 references
NSC number
243770
0 references
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