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CHEBI:234140 - (E)-nifurstyrenate

ChEBI IDCHEBI:234140
ChEBI Name(E)-nifurstyrenate
Stars
ASCII Name(E)-nifurstyrenate
DefinitionA nifurstyrenate that is the conjugate base of (E)-nifurstyrenic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified25 April 2025
SubmitterAdnan
DownloadsMolfile
FormulaC13H8NO5
Net Charge-1
Average Mass258.209
Monoisotopic Mass258.04080
SMILESO=C([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H9NO5/c15-13(16)10-4-1-9(2-5-10)3-6-11-7-8-12(19-11)14(17)18/h1-8H,(H,15,16)/p-1/b6-3+
InChIKeyNWSQQZAVPSDJIB-ZZXKWVIFSA-M
ChEBI Ontology
Outgoing Relation(s)
(E)-nifurstyrenate (CHEBI:234140) is a nifurstyrenate (CHEBI:234122)
(E)-nifurstyrenate (CHEBI:234140) is conjugate base of (E)-nifurstyrenic acid (CHEBI:234120)
Incoming Relation(s)
(E)-nifurstyrenic acid (CHEBI:234120) is conjugate acid of (E)-nifurstyrenate (CHEBI:234140)
IUPAC Name 
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
Synonym  Source
trans-nifurstyrenateChEBI