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Details

Stereochemistry ACHIRAL
Molecular Formula C12H7N5O6
Molecular Weight 317.2139
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6,8-Trinitroharman

SMILES

CC1=C2NC3=C(C=C(C=C3[N+]([O-])=O)[N+]([O-])=O)C2=CC(=N1)[N+]([O-])=O

InChI

InChIKey=WTOOLMIYJDUDKG-UHFFFAOYSA-N
InChI=1S/C12H7N5O6/c1-5-11-8(4-10(13-5)17(22)23)7-2-6(15(18)19)3-9(16(20)21)12(7)14-11/h2-4,14H,1H3

HIDE SMILES / InChI

Molecular Formula C12H7N5O6
Molecular Weight 317.2139
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 08:56:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:56:54 GMT 2023
Record UNII
LNN7QVA6KN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6,8-Trinitroharman
Systematic Name English
1-Methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
Systematic Name English
9H-Pyrido[3,4-b]indole, 1-methyl-3,6,8-trinitro-
Systematic Name English
Code System Code Type Description
FDA UNII
LNN7QVA6KN
Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023
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EPA CompTox
DTXSID40162151
Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023
PRIMARY
CAS
142741-10-4
Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023
PRIMARY
PUBCHEM
5487752
Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023
PRIMARY