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CHEBI:20476 - 4-sulfonatobenzoate(2−)

Default Structure
ChEBI IDCHEBI:20476
ChEBI Name4-sulfonatobenzoate(2−)
Stars
ASCII Name4-sulfonatobenzoate(2-)
DefinitionA doubly-charged sulfonatobenzoate consisting of benzoate having a sufonato group at the 4-position.
Last Modified18 August 2015
DownloadsMolfile
FormulaC7H4O5S
Net Charge-2
Average Mass200.171
Monoisotopic Mass199.97904
SMILESO=C([O-])c1ccc(S(=O)(=O)[O-])cc1
InChIInChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)/p-2
InChIKeyHWAQOZGATRIYQG-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
4-sulfonatobenzoate(2−) (CHEBI:20476) has functional parent benzoate (CHEBI:16150)
4-sulfonatobenzoate(2−) (CHEBI:20476) is a sulfonatobenzoate (CHEBI:36086)
4-sulfonatobenzoate(2−) (CHEBI:20476) is conjugate base of 4-sulfobenzoic acid (CHEBI:30789)
Incoming Relation(s)
4-sulfobenzoic acid (CHEBI:30789) is conjugate acid of 4-sulfonatobenzoate(2−) (CHEBI:20476)
IUPAC Name 
4-sulfonatobenzoate
Synonyms  Source
4-sulphonatobenzoateChEBI
−O3S‒C6H4‒COO−ChEBI
UniProt Name  Source
4-sulfobenzoateUniProt
Manual XrefsDatabases
C02236KEGG COMPOUND
c0304UM-BBD