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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O10S2
Molecular Weight 326.257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-Disulfoisophthalic acid

SMILES

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

InChI

InChIKey=QZVPBBKGFDYOJB-UHFFFAOYSA-N
InChI=1S/C8H6O10S2/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)2-5(3)19(13,14)15/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18)

HIDE SMILES / InChI

Approval Year

Name Type Language
4,6-Disulfoisophthalic acid
Systematic Name English
4,6-disulfobenzene-1,3-dicarboxylic acid
Systematic Name English
1,3-Benzenedicarboxylic acid, 4,6-disulfo-
Systematic Name English
4,6-Di-sulphoisophthalic acid
Common Name English
4,6-Di-sulfoisophthalic acid
Common Name English
4,6-Disulphoisophthalic acid
Systematic Name English
4,6-Disulfo-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
9SR8EYN8QX
Created by admin on Sat Dec 16 12:22:37 GMT 2023 , Edited by admin on Sat Dec 16 12:22:37 GMT 2023
PRIMARY
PUBCHEM
89699
Created by admin on Sat Dec 16 12:22:37 GMT 2023 , Edited by admin on Sat Dec 16 12:22:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-965-8
Created by admin on Sat Dec 16 12:22:37 GMT 2023 , Edited by admin on Sat Dec 16 12:22:37 GMT 2023
PRIMARY
CAS
22411-53-6
Created by admin on Sat Dec 16 12:22:37 GMT 2023 , Edited by admin on Sat Dec 16 12:22:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID90176945
Created by admin on Sat Dec 16 12:22:37 GMT 2023 , Edited by admin on Sat Dec 16 12:22:37 GMT 2023
PRIMARY