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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13N4O3S.Na
Molecular Weight 328.322
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM P-((4,6-DIAMINO-M-TOLYL)AZO)BENZENESULFONATE

SMILES

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

InChI

InChIKey=XBXOIRJUKYNIOE-CMBBICFISA-M
InChI=1S/C13H14N4O3S.Na/c1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;/h2-7H,14-15H2,1H3,(H,18,19,20);/q;+1/p-1/b17-16+;

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 C13H13N4O3S
Molecular Weight 305.332
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 08:21:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:55 GMT 2023
Record UNII
C1X33UOK9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM P-((4,6-DIAMINO-M-TOLYL)AZO)BENZENESULFONATE
Common Name English
NSC-45175
Code English
BENZENESULFONIC ACID, 4-(2-(2,4-DIAMINO-5-METHYLPHENYL)DIAZENYL)-, SODIUM SALT (1:1)
Systematic Name English
BENZENESULFONIC ACID, P-((4,6-DIAMINO-M-TOLYL)AZO)-, MONOSODIUM SALT
Systematic Name English
BENZENESULFONIC ACID, 4-((2,4-DIAMINO-5-METHYLPHENYL)AZO)-, MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901020163
Created by admin on Sat Dec 16 08:21:55 GMT 2023 , Edited by admin on Sat Dec 16 08:21:55 GMT 2023
PRIMARY
CAS
6300-61-4
Created by admin on Sat Dec 16 08:21:55 GMT 2023 , Edited by admin on Sat Dec 16 08:21:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-590-7
Created by admin on Sat Dec 16 08:21:55 GMT 2023 , Edited by admin on Sat Dec 16 08:21:55 GMT 2023
PRIMARY
FDA UNII
C1X33UOK9R
Created by admin on Sat Dec 16 08:21:55 GMT 2023 , Edited by admin on Sat Dec 16 08:21:55 GMT 2023
PRIMARY
NSC
45175
Created by admin on Sat Dec 16 08:21:55 GMT 2023 , Edited by admin on Sat Dec 16 08:21:55 GMT 2023
PRIMARY