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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N4O6S.Na
Molecular Weight 492.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-((4-((4-ETHOXYPHENYL)AZO)-2,5-DIMETHOXYPHENYL)AZO)BENZENESULPHONATE

SMILES

[Na+].CCOC1=CC=C(C=C1)\N=N\C2=C(OC)C=C(\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)C(OC)=C2

InChI

InChIKey=KFFWWEZDABCZCU-MVAKMUFYSA-M
InChI=1S/C22H22N4O6S.Na/c1-4-32-17-9-5-15(6-10-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-7-11-18(12-8-16)33(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1/b25-23+,26-24+;

HIDE SMILES / InChI

Molecular Formula C22H21N4O6S
Molecular Weight 469.49
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
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 12:24:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:49 GMT 2023
Record UNII
C3Y2BP1H1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 4-((4-((4-ETHOXYPHENYL)AZO)-2,5-DIMETHOXYPHENYL)AZO)BENZENESULPHONATE
Systematic Name English
BENZENESULFONIC ACID, 4-((4-((4-ETHOXYPHENYL)AZO)-2,5-DIMETHOXYPHENYL)AZO)-, SODIUM SALT
Common Name English
Code System Code Type Description
CAS
67875-02-9
Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-517-3
Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID9070747
Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023
PRIMARY
FDA UNII
C3Y2BP1H1Y
Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023
PRIMARY