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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O5S
Molecular Weight 202.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-SULFOBENZOIC ACID

SMILES

OC(=O)C1=CC=CC=C1S(O)(=O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H6O5S
Molecular Weight 202.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The effect of histidine oxidation on the dissociation patterns of peptide ions.
2007 Mar
De novo sequencing of two new cyclic theta-defensins from baboon (Papio hamadryas) leukocytes by matrix-assisted laser desorption/ionization mass spectrometry.
2010 Mar 15
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:53 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:53 GMT 2023
Record UNII
O9W37198EZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-SULFOBENZOIC ACID
Systematic Name English
BENZOIC ACID, O-SULFO-
Common Name English
BENZOIC ACID, 2-SULFO-
Common Name English
O-SULFOBENZOIC ACID
Systematic Name English
O-CARBOXYBENZENESULFONIC ACID
Systematic Name English
2-CARBOXYBENZENESULFONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
O9W37198EZ
Created by admin on Fri Dec 15 18:32:53 GMT 2023 , Edited by admin on Fri Dec 15 18:32:53 GMT 2023
PRIMARY
PUBCHEM
12438
Created by admin on Fri Dec 15 18:32:53 GMT 2023 , Edited by admin on Fri Dec 15 18:32:53 GMT 2023
PRIMARY
CAS
632-25-7
Created by admin on Fri Dec 15 18:32:53 GMT 2023 , Edited by admin on Fri Dec 15 18:32:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-176-5
Created by admin on Fri Dec 15 18:32:53 GMT 2023 , Edited by admin on Fri Dec 15 18:32:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID6060894
Created by admin on Fri Dec 15 18:32:53 GMT 2023 , Edited by admin on Fri Dec 15 18:32:53 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT