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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N3O4S.Na
Molecular Weight 343.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sodium p-[(4-amino-5-methoxy-O-tolyl)azo]benzenesulfonate

SMILES

[Na+].COC1=C(N)C=C(C)C(=C1)\N=N\C2=CC=C(C=C2)S([O-])(=O)=O

InChI

InChIKey=JDMWNDRLWBRPGG-CMBBICFISA-M
InChI=1S/C14H15N3O4S.Na/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(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 C14H14N3O4S
Molecular Weight 320.344
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 12:54:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:58 GMT 2023
Record UNII
BJN3PKU4QH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium p-[(4-amino-5-methoxy-O-tolyl)azo]benzenesulfonate
Systematic Name English
Benzenesulfonic acid, p-[(4-amino-5-methoxy-o-tolyl)azo]-, sodium salt
Common Name English
Benzenesulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-, sodium salt (1:1)
Common Name English
Benzenesulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-, monosodium salt
Common Name English
NSC-45525
Code English
Code System Code Type Description
CAS
3626-35-5
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
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NSC
45525
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-837-2
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID60884000
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
FDA UNII
BJN3PKU4QH
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY