2,4,6-Trinitromesitylene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9N3O6
Molecular Weight	255.1843
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,6-Trinitromesitylene

Structure Search

SMILES

CC1=C(C(C)=C(C(C)=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=YVJCXMCIFPUNDO-UHFFFAOYSA-N

InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H9N3O6
Molecular Weight	255.1843
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 `Tue Apr 01 19:43:16 GMT 2025` Edited by `admin` on `Tue Apr 01 19:43:16 GMT 2025`
Record UNII	YY66QU2KDR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-Trinitromesitylene

Systematic Name

English

NSC-29088

Preferred Name

English

1,3,5-Trimethyl-2,4,6-trinitrobenzene

Systematic Name

English

Benzene, 1,3,5-trimethyl-2,4,6-trinitro-

Systematic Name

English

Code System Code Type Description

NSC

29088

Created by admin on Tue Apr 01 19:43:16 GMT 2025 , Edited by admin on Tue Apr 01 19:43:16 GMT 2025

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CAS

602-96-0

Created by admin on Tue Apr 01 19:43:16 GMT 2025 , Edited by admin on Tue Apr 01 19:43:16 GMT 2025

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FDA UNII

YY66QU2KDR

Created by admin on Tue Apr 01 19:43:16 GMT 2025 , Edited by admin on Tue Apr 01 19:43:16 GMT 2025

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PUBCHEM

11771

Created by admin on Tue Apr 01 19:43:16 GMT 2025 , Edited by admin on Tue Apr 01 19:43:16 GMT 2025

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EPA CompTox

DTXSID70208950

Created by admin on Tue Apr 01 19:43:16 GMT 2025 , Edited by admin on Tue Apr 01 19:43:16 GMT 2025

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