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
Stars This entity has been manually annotated by a third party.
Supplier Information
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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
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