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CHEBI:111402 - 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one
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ChEBI Name
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one
ChEBI ID
CHEBI:111402
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This entity has been manually annotated by a third party.
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Formula
C13H7NO5S
Net Charge
0
Average Mass
289.265
Monoisotopic Mass
289.00449
InChI
InChI=1S/C13H7NO5S/c15-9-5-10(12-11(6-9)20-13(16)19-12)7-1-3-8(4-2-7)14(17)18/h1-6,15H
InChIKey
NGGKZEUPYOGAHM-UHFFFAOYSA-N
SMILES
C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)O)[N+](=O)[O-]
ChEBI Ontology
Outgoing
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one (
CHEBI:111402
)
is a
C
-nitro compound (
CHEBI:35716
)
Manual Xref
Database
LSM-22858
LINCS
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