CHEBI:76981 - 3-[(1-carboxylatovinyl)oxy]benzoate(2−)

ChEBI IDCHEBI:76981
ChEBI Name3-[(1-carboxylatovinyl)oxy]benzoate(2−)
Stars
ASCII Name3-[(1-carboxylatovinyl)oxy]benzoate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-[(1-carboxyvinyl)oxy]benzoic acid; major species at pH 7.3.
Last Modified27 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC10H6O5
Net Charge-2
Average Mass206.153
Monoisotopic Mass206.02262
SMILESC=C(Oc1cccc(C(=O)[O-])c1)C(=O)[O-]
InChIInChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)/p-2
InChIKeyHGVAHYJMDVROLE-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-[(1-carboxylatovinyl)oxy]benzoate(2−) (CHEBI:76981) is a dicarboxylic acid dianion (CHEBI:28965)
3-[(1-carboxylatovinyl)oxy]benzoate(2−) (CHEBI:76981) is conjugate base of 3-[(1-carboxyvinyl)oxy]benzoic acid (CHEBI:77107)
Incoming Relation(s)
3-[(1-carboxyvinyl)oxy]benzoic acid (CHEBI:77107) is conjugate acid of 3-[(1-carboxylatovinyl)oxy]benzoate(2−) (CHEBI:76981)
IUPAC Name 
3-[(1-carboxylatovinyl)oxy]benzoate
UniProt Name  Source
3-[(1-carboxyvinyl)-oxy]benzoateUniProt
Registry NumbersSources
Reaxys:9631612Reaxys
Citations