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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9ClN3O3S.Na
Molecular Weight 333.726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3-((4-AMINOPHENYL)AZO)-4-CHLOROBENZENESULFONATE

SMILES

[Na+].NC1=CC=C(C=C1)\N=N\C2=C(Cl)C=CC(=C2)S([O-])(=O)=O

InChI

InChIKey=LVTVPHDHZAQTKZ-GEEYTBSJSA-M
InChI=1S/C12H10ClN3O3S.Na/c13-11-6-5-10(20(17,18)19)7-12(11)16-15-9-3-1-8(14)2-4-9;/h1-7H,14H2,(H,17,18,19);/q;+1/p-1/b16-15+;

HIDE SMILES / InChI

Molecular Formula C12H9ClN3O3S
Molecular Weight 310.736
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 12:36:01 GMT 2023
Edited
by admin
on Sat Dec 16 12:36:01 GMT 2023
Record UNII
2M2428BP7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3-((4-AMINOPHENYL)AZO)-4-CHLOROBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 3-((4-AMINOPHENYL)AZO)-4-CHLORO-, MONOSODIUM SALT
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-539-3
Created by admin on Sat Dec 16 12:36:01 GMT 2023 , Edited by admin on Sat Dec 16 12:36:01 GMT 2023
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FDA UNII
2M2428BP7B
Created by admin on Sat Dec 16 12:36:01 GMT 2023 , Edited by admin on Sat Dec 16 12:36:01 GMT 2023
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CAS
67875-24-5
Created by admin on Sat Dec 16 12:36:01 GMT 2023 , Edited by admin on Sat Dec 16 12:36:01 GMT 2023
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EPA CompTox
DTXSID3070755
Created by admin on Sat Dec 16 12:36:01 GMT 2023 , Edited by admin on Sat Dec 16 12:36:01 GMT 2023
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