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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N3O6
Molecular Weight 241.1577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-1,3,5-TRINITRO-BENZENE

SMILES

CCC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=VDKWJWFQFPWXFC-UHFFFAOYSA-N
InChI=1S/C8H7N3O6/c1-2-6-7(10(14)15)3-5(9(12)13)4-8(6)11(16)17/h3-4H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZENE, 2-ETHYL-1,3,5-TRINITRO-
Preferred Name English
2-ETHYL-1,3,5-TRINITRO-BENZENE
Systematic Name English
1-ETHYL-2,4,6-TRINITROBENZENE
Systematic Name English
2,4,6-TRINITROETHYLBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
26373
Created by admin on Tue Apr 01 19:05:08 GMT 2025 , Edited by admin on Tue Apr 01 19:05:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-778-8
Created by admin on Tue Apr 01 19:05:08 GMT 2025 , Edited by admin on Tue Apr 01 19:05:08 GMT 2025
PRIMARY
CAS
13985-60-9
Created by admin on Tue Apr 01 19:05:08 GMT 2025 , Edited by admin on Tue Apr 01 19:05:08 GMT 2025
PRIMARY
FDA UNII
9UX7T559VE
Created by admin on Tue Apr 01 19:05:08 GMT 2025 , Edited by admin on Tue Apr 01 19:05:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID90161179
Created by admin on Tue Apr 01 19:05:08 GMT 2025 , Edited by admin on Tue Apr 01 19:05:08 GMT 2025
PRIMARY