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Details

Stereochemistry ACHIRAL
Molecular Formula C6H2IN3O6
Molecular Weight 339.001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Iodo-2,4,6-trinitrobenzene

SMILES

[O-][N+](=O)C1=CC(=C(I)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ZECBCPLUOMIFAA-UHFFFAOYSA-N
InChI=1S/C6H2IN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H

HIDE SMILES / InChI

Molecular Formula C6H2IN3O6
Molecular Weight 339.0011
Charge 0
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 12:22:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:19 GMT 2023
Record UNII
WTS9M3PB8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Iodo-2,4,6-trinitrobenzene
Systematic Name English
Benzene, 2-iodo-1,3,5-trinitro-
Systematic Name English
Picryl iodide
Common Name English
2-Iodo-1,3,5-trinitrobenzene
Systematic Name English
NSC-76678
Code English
Code System Code Type Description
PUBCHEM
78172
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY
NSC
76678
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY
CAS
4436-27-5
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196146
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-645-4
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY
FDA UNII
WTS9M3PB8N
Created by admin on Sat Dec 16 12:22:19 GMT 2023 , Edited by admin on Sat Dec 16 12:22:19 GMT 2023
PRIMARY