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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N3O3S.Na
Molecular Weight 313.307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Benzenesulfonic acid, 3-((4-amino-3-methylphenyl)azo)-, sodium salt

SMILES

[Na+].CC1=CC(=CC=C1N)\N=N\C2=CC=CC(=C2)S([O-])(=O)=O

InChI

InChIKey=VLVWDCRLRGHEHJ-GEEYTBSJSA-M
InChI=1S/C13H13N3O3S.Na/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1/b16-15+;

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 C13H12N3O3S
Molecular Weight 290.318
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 13:08:14 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:14 GMT 2023
Record UNII
4SRD84R238
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 3-((4-amino-3-methylphenyl)azo)-, sodium salt
Common Name English
Benzenesulfonic acid, 3-[(4-amino-3-methylphenyl)azo]-, monosodium salt
Common Name English
Benzenesulfonic acid, 3-[2-(4-amino-3-methylphenyl)diazenyl]-, sodium salt
Common Name English
Benzenesulfonic acid, 3-[2-(4-amino-3-methylphenyl)diazenyl]-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
271-165-6
Created by admin on Sat Dec 16 13:08:14 GMT 2023 , Edited by admin on Sat Dec 16 13:08:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID6071588
Created by admin on Sat Dec 16 13:08:14 GMT 2023 , Edited by admin on Sat Dec 16 13:08:14 GMT 2023
PRIMARY
FDA UNII
4SRD84R238
Created by admin on Sat Dec 16 13:08:14 GMT 2023 , Edited by admin on Sat Dec 16 13:08:14 GMT 2023
PRIMARY
CAS
68516-59-6
Created by admin on Sat Dec 16 13:08:14 GMT 2023 , Edited by admin on Sat Dec 16 13:08:14 GMT 2023
PRIMARY
PUBCHEM
23668702
Created by admin on Sat Dec 16 13:08:14 GMT 2023 , Edited by admin on Sat Dec 16 13:08:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE