U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O6S2.2Na
Molecular Weight 282.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 1,3-BENZENEDISULFONATE

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O

InChI

InChIKey=XWPWZOJBTOJEGW-UHFFFAOYSA-L
InChI=1S/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H4O6S2
Molecular Weight 236.222
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
An in vitro evaluation of human dermal exposure to benzene sulfonate, m-benzene disulfonate and p-phenol sulfonate.
2004 Aug
Arylsulfonates as sole source of sulfur for Clostridium pasteurianum DSM 12136.
2005
Aluminum-induced maternal and developmental toxicity and oxidative stress in rat brain: response to combined administration of Tiron and glutathione.
2006 Apr
Dissociation of dicarboxylate and disulfonate dianions.
2010 Mar 7
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:17 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:17 GMT 2023
Record UNII
1537988ZJN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 1,3-BENZENEDISULFONATE
Systematic Name English
DISODIUM BENZENE-1,3-DISULFONIC ACID
Systematic Name English
1,3-BENZENDISULFONIC ACID DISODIUM SALT
Systematic Name English
M-BENZENEDISULFONIC ACID, DISODIUM SALT
Common Name English
1,3-BENZENEDISULFONIC ACID, SODIUM SALT (1:2)
Systematic Name English
DISODIUM BENZENE-1,3-DISULFONATE
Systematic Name English
NSC-4863
Code English
DISODIUM M-BENZENEDISULFONATE
Common Name English
1,3-BENZENEDISULFONIC ACID, DISODIUM SALT
Systematic Name English
Code System Code Type Description
CAS
831-59-4
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY
PUBCHEM
71577
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY
NSC
4863
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID0044735
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY
FDA UNII
1537988ZJN
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-606-4
Created by admin on Sat Dec 16 07:59:17 GMT 2023 , Edited by admin on Sat Dec 16 07:59:17 GMT 2023
PRIMARY