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CHEBI:225282 - α-sulfophenylacetic acid

ChEBI IDCHEBI:225282
ChEBI Nameα-sulfophenylacetic acid
Stars
ASCII Namealpha-sulfophenylacetic acid
DefinitionAn member of the class of phenylacetic acids that is phenylacetic acid in which one of the hydrogens α- to the carboxy group has been replaced by a sulfo group.
Last Modified23 December 2018
DownloadsMolfile
FormulaC8H8O5S
Net Charge0
Average Mass216.214
Monoisotopic Mass216.00924
SMILESO=C(O)C(c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
InChIKeyUSNMCXDGQQVYSW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
α-sulfophenylacetic acid (CHEBI:225282) has functional parent phenylacetic acid (CHEBI:30745)
α-sulfophenylacetic acid (CHEBI:225282) is a organosulfonic acid (CHEBI:33551)
α-sulfophenylacetic acid (CHEBI:225282) is a phenylacetic acids (CHEBI:25978)
α-sulfophenylacetic acid (CHEBI:225282) is conjugate acid of α-sulfophenylacetate (CHEBI:59003)
Incoming Relation(s)
α-sulfophenylacetate (CHEBI:59003) is conjugate base of α-sulfophenylacetic acid (CHEBI:225282)
IUPAC Name 
phenyl(sulfo)acetic acid
Synonyms  Source
α-sulphophenylacetic acidChEBI
2-phenyl-2-sulfoacetic acidChEBI
Registry NumbersSources
Reaxys:2112847Reaxys
Citations