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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClN6O2
Molecular Weight 382.804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Disperse Orange 44

SMILES

[O-][N+](=O)C1=CC(Cl)=C(C=C1)\N=N\C2=CC=C(C=C2)N(CCC#N)CCC#N

InChI

InChIKey=ZXXVVTBKBDDTSE-GHVJWSGMSA-N
InChI=1S/C18H15ClN6O2/c19-17-13-16(25(26)27)7-8-18(17)23-22-14-3-5-15(6-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2/b23-22+

HIDE SMILES / InChI

Molecular Formula C18H15ClN6O2
Molecular Weight 382.804
Charge 0
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 Wed Apr 02 08:28:55 GMT 2025
Edited
by admin
on Wed Apr 02 08:28:55 GMT 2025
Record UNII
57N4LE7K5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanenitrile, 3,3?-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]imino]bis-
Preferred Name English
Disperse Orange 44
Common Name English
3,3?-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]imino]bis[propanenitrile]
Systematic Name English
Code System Code Type Description
FDA UNII
57N4LE7K5Y
Created by admin on Wed Apr 02 08:28:55 GMT 2025 , Edited by admin on Wed Apr 02 08:28:55 GMT 2025
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PUBCHEM
77677
Created by admin on Wed Apr 02 08:28:55 GMT 2025 , Edited by admin on Wed Apr 02 08:28:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID5063281
Created by admin on Wed Apr 02 08:28:55 GMT 2025 , Edited by admin on Wed Apr 02 08:28:55 GMT 2025
PRIMARY
CAS
4058-30-4
Created by admin on Wed Apr 02 08:28:55 GMT 2025 , Edited by admin on Wed Apr 02 08:28:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-765-4
Created by admin on Wed Apr 02 08:28:55 GMT 2025 , Edited by admin on Wed Apr 02 08:28:55 GMT 2025
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