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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N3O3.Na
Molecular Weight 293.2531
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-3-methyl-, sodium salt

SMILES

[Na+].CC1=CC(=CC(C([O-])=O)=C1O)\N=N\C2=CC=C(N)C=C2

InChI

InChIKey=YWCHZWAJGZBQFA-CMBBICFISA-M
InChI=1S/C14H13N3O3.Na/c1-8-6-11(7-12(13(8)18)14(19)20)17-16-10-4-2-9(15)3-5-10;/h2-7,18H,15H2,1H3,(H,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 C14H12N3O3
Molecular Weight 270.2634
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 12:14:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:14:00 GMT 2023
Record UNII
5AKE2R9RNT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-3-methyl-, sodium salt
Common Name English
Benzoic acid, 5-[(4-aminophenyl)azo]-2-hydroxy-3-methyl-, monosodium salt
Common Name English
Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-3-methyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0070574
Created by admin on Sat Dec 16 12:14:00 GMT 2023 , Edited by admin on Sat Dec 16 12:14:00 GMT 2023
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PUBCHEM
135666444
Created by admin on Sat Dec 16 12:14:00 GMT 2023 , Edited by admin on Sat Dec 16 12:14:00 GMT 2023
PRIMARY
CAS
67712-20-3
Created by admin on Sat Dec 16 12:14:00 GMT 2023 , Edited by admin on Sat Dec 16 12:14:00 GMT 2023
PRIMARY
FDA UNII
5AKE2R9RNT
Created by admin on Sat Dec 16 12:14:00 GMT 2023 , Edited by admin on Sat Dec 16 12:14:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-978-8
Created by admin on Sat Dec 16 12:14:00 GMT 2023 , Edited by admin on Sat Dec 16 12:14:00 GMT 2023
PRIMARY