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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N2O6S.Na
Molecular Weight 332.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-((2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonate

SMILES

[Na+].OC1=CC=C(\N=N\C2=CC(=CC=C2O)S([O-])(=O)=O)C(O)=C1

InChI

InChIKey=MOLJFAGWUXDJJC-IERUDJENSA-M
InChI=1S/C12H10N2O6S.Na/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h1-6,15-17H,(H,18,19,20);/q;+1/p-1/b14-13+;

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 C12H9N2O6S
Molecular Weight 309.275
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:58:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:50 GMT 2023
Record UNII
WZ3U2ZY753
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-((2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-(2-(2,4-dihydroxyphenyl)diazenyl)-4-hydroxy-, sodium salt (1:1)
Systematic Name English
C.I. Mordant Red 5, monosodium salt
Common Name English
Benzenesulfonic acid, 3-((2,4-dihydroxyphenyl)azo)-4-hydroxy-, monosodium salt
Systematic Name English
NSC-12448
Code English
C.I. 14290
Code English
Sodium 3-((2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonate
Systematic Name English
Code System Code Type Description
FDA UNII
WZ3U2ZY753
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
NSC
12448
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID5063077
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
CAS
3564-26-9
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-644-3
Created by admin on Sat Dec 16 11:58:50 GMT 2023 , Edited by admin on Sat Dec 16 11:58:50 GMT 2023
PRIMARY