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CHEBI:90704 - carboxylato-PTIO

ChEBI IDCHEBI:90704
ChEBI Namecarboxylato-PTIO
Stars
DefinitionA benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group.
Last Modified7 December 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H16N2O4
Net Charge-1
Average Mass276.292
Monoisotopic Mass276.11156
SMILESCC1(C)N([O])C(c2ccc(C(=O)[O-])cc2)=[N+]([O-])C1(C)C
InChIInChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)/p-1
InChIKeyKWNDLWPKCDMGTN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
carboxylato-PTIO (CHEBI:90704) is a benzoates (CHEBI:22718)
carboxylato-PTIO (CHEBI:90704) is a radical anion (CHEBI:36873)
carboxylato-PTIO (CHEBI:90704) is conjugate base of carboxy-PTIO (CHEBI:90702)
Incoming Relation(s)
potassium 2-(4-carboxylatophenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (CHEBI:90701) has part carboxylato-PTIO (CHEBI:90704)
carboxy-PTIO (CHEBI:90702) is conjugate acid of carboxylato-PTIO (CHEBI:90704)
IUPAC Name 
[2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3λ5-imidazol-1-yl]oxidanyl
Synonyms  Source
carboxy-PTIO anionChEBI
carboxy-PTIO(1−)ChEBI