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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, 4-[2-(4-amino-2-methylphenyl)diazenyl]-, sodium salt

SMILES

[Na+].CC1=CC(N)=CC=C1\N=N\C2=CC=C(C=C2)S([O-])(=O)=O

InChI

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

HIDE SMILES / InChI

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:08:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:08:44 GMT 2023
Record UNII
NV5F352JRM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 4-[2-(4-amino-2-methylphenyl)diazenyl]-, sodium salt
Systematic Name English
Benzenesulfonic acid, 4-[2-(4-amino-2-methylphenyl)diazenyl]-, sodium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 4-[(4-amino-2-methylphenyl)azo]-, monosodium salt
Common Name English
Code System Code Type Description
PUBCHEM
23692290
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
PRIMARY
CAS
62570-47-2
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-605-0
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
PRIMARY
FDA UNII
NV5F352JRM
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID6069583
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
PRIMARY