1,3,6-TRINITROPYRENE

[O-][N+](=O)C1=CC(=C2C=CC3=C(C=CC4=CC=C1C2=C34)[N+]([O-])=O)[N+]([O-])=O

InChIKey=BXOXVTWMJCUYLW-UHFFFAOYSA-N

InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:19 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:19 GMT 2025`
Record UNII	49M5YJ3MLV
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

1,3,6-TRINITROPYRENE

Systematic Name

English

TRINITROPYRENE, 1,3,6-

Preferred Name

English

Code System Code Type Description

CAS

75321-19-6

Created by admin on Mon Mar 31 18:51:19 GMT 2025 , Edited by admin on Mon Mar 31 18:51:19 GMT 2025

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PUBCHEM

53229

Created by admin on Mon Mar 31 18:51:19 GMT 2025 , Edited by admin on Mon Mar 31 18:51:19 GMT 2025

PRIMARY

EPA CompTox

DTXSID2075267

Created by admin on Mon Mar 31 18:51:19 GMT 2025 , Edited by admin on Mon Mar 31 18:51:19 GMT 2025

PRIMARY

FDA UNII

49M5YJ3MLV

Created by admin on Mon Mar 31 18:51:19 GMT 2025 , Edited by admin on Mon Mar 31 18:51:19 GMT 2025

PRIMARY