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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5O5S.H4N
Molecular Weight 219.215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ammonium 2-sulfobenzoate

SMILES

[NH4+].OC(=O)C1=C(C=CC=C1)S([O-])(=O)=O

InChI

InChIKey=PJGXSCHDOCZUNR-UHFFFAOYSA-N
InChI=1S/C7H6O5S.H3N/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H3

HIDE SMILES / InChI

Molecular Formula C7H5O5S
Molecular Weight 201.177
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Facile Synthesis and Polymerization of 2,6-Difluoro-2'-sulfobenzophenone for Aromatic Proton Conducting Ionomers with Pendant Sulfobenzoyl Groups.
2010-08-03
De novo sequencing of two new cyclic theta-defensins from baboon (Papio hamadryas) leukocytes by matrix-assisted laser desorption/ionization mass spectrometry.
2010-03-15
Poly[[(2,2'-bipyridine)-(μ(3)-2-sulfonatobenzoato)lead(II)] dihydrate].
2010-02-17
Photooxidation products of polycyclic aromatic compounds containing sulfur.
2009-11-01
Evaluation of cytotoxicity attributed to thimerosal on murine and human kidney cells.
2007-12
Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines.
2007-08
Catalytic and non-catalytic wet air oxidation of sodium dodecylbenzene sulfonate: kinetics and biodegradability enhancement.
2007-06-18
The effect of histidine oxidation on the dissociation patterns of peptide ions.
2007-03
Surface ATRP of hydrophilic monomers from ultrafine aqueous silica sols using anionic polyelectrolytic macroinitiators.
2007-01-16
A novel three-dimensional supramolecular coordination polymer: poly[[diaquadicadmium(II)-di-mu2-4,4'-bipyridyl-di-mu2-2-sulfonatobenzoato] dihydrate].
2005-01
Bis(mu-2-sulfonatobenzoato)bis[(1,10-phenanthroline)lead(II)] dihydrate.
2004-09
Structural confirmation of ostreocin-D by application of negative-ion fast-atom bombardment collision-induced dissociation tandem mass spectrometric methods.
2002
Synthesis of protected L-4-[sulfono(difluoromethyl)phenylalanine and its incorporation into a peptide.
2001-05-17
Pharmacokinetics and pharmacodynamics of dexamethasone sodium-m-sulfobenzoate (DS) after intravenous and intramuscular administration: a comparison with dexamethasone phosphate (DP).
2001-04
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:22:48 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:48 GMT 2025
Record UNII
YDE5SHF3ZK
Record Status Validated (UNII)
Record Version
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Name Type Language
Ammonium 2-sulfobenzoate
Systematic Name English
NSC-38710
Preferred Name English
Ammonium o-sulfobenzoic acid
Systematic Name English
Benzoic acid, o-sulfo-, S-monoammonium salt
Common Name English
Benzoic acid, 2-sulfo-, ammonium salt (1:1)
Systematic Name English
Benzoic acid, 2-sulfo-, monoammonium salt
Systematic Name English
Ammonium o-sulfobenzoate
Systematic Name English
2-Sulfobenzoic Acid Monoammonium Salt
Common Name English
Ammonium o-carboxybenzenesulfonate
Systematic Name English
Code System Code Type Description
CAS
6939-89-5
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID60884303
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
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FDA UNII
YDE5SHF3ZK
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
PRIMARY
PUBCHEM
81360
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
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NSC
38710
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-077-8
Created by admin on Mon Mar 31 19:22:48 GMT 2025 , Edited by admin on Mon Mar 31 19:22:48 GMT 2025
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