4-Sulfophenylacetate

General

Type : Sulfur Compound, Acetate, Sulfonyl

Chemical_Nomenclature : 4-acetyloxybenzenesulfonate

Canonical SMILES : CC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-] || CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI : InChI=1S\/C8H8O5S\/c1-6(9)13-7-2-4-8(5-3-7)14(10,11)12\/h2-5H,1H3,(H,10,11,12)\/p-1 || InChI=1S\/C8H8O5S\/c1-6(9)13-7-2-4-8(5-3-7)14(10,11)12\/h2-5H,1H3,(H,10,11,12)

InChIKey : PCWITQSPDHVTKN-UHFFFAOYSA-M || PCWITQSPDHVTKN-UHFFFAOYSA-N

Other name(s) : SPAc  ||  4-Sulfophenol acetate  ||  4-acetyloxybenzenesulfonic Acid  ||  4-sulfophenyl acetate  ||  4-acetoxybenzenesulfonic acid  ||  SCHEMBL3161812


MW : 215.21 || 216.21

Formula : C8H7O5S- || C8H8O5S

CAS_number : 46331-24-2

PubChem : 19373831,    458339

UniChem : PCWITQSPDHVTKN-UHFFFAOYSA-M,    PCWITQSPDHVTKN-UHFFFAOYSA-N

Target

References (1)

Title : Two enzymes of a complete degradation pathway for linear alkylbenzenesulfonate (LAS) surfactants: 4-sulfoacetophenone Baeyer-Villiger monooxygenase and 4-sulfophenylacetate esterase in Comamonas testosteroni KF-1 - Weiss_2012_Appl.Environ.Microbiol_78_8254
Author(s) : Weiss M , Denger K , Huhn T , Schleheck D
Ref : Applied Environmental Microbiology , 78 :8254 , 2012
Abstract :
PubMedSearch : Weiss_2012_Appl.Environ.Microbiol_78_8254
PubMedID: 23001656
Gene_locus related to this paper: comtk-b7x4e0