2-ETHYL-1,3,5-TRINITRO-BENZENE

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NCATS

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

Structure Search

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

Molecular Formula	C8H7N3O6
Molecular Weight	241.1577
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 12:21:21 GMT 2023` Edited by `admin` on `Sat Dec 16 12:21:21 GMT 2023`
Record UNII	9UX7T559VE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ETHYL-1,3,5-TRINITRO-BENZENE

Systematic Name

English

1-ETHYL-2,4,6-TRINITROBENZENE

Systematic Name

English

BENZENE, 2-ETHYL-1,3,5-TRINITRO-

Systematic Name

English

2,4,6-TRINITROETHYLBENZENE

Systematic Name

English

Code System Code Type Description

PUBCHEM

26373

Created by admin on Sat Dec 16 12:21:21 GMT 2023 , Edited by admin on Sat Dec 16 12:21:21 GMT 2023

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ECHA (EC/EINECS)

237-778-8

Created by admin on Sat Dec 16 12:21:21 GMT 2023 , Edited by admin on Sat Dec 16 12:21:21 GMT 2023

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CAS

13985-60-9

Created by admin on Sat Dec 16 12:21:21 GMT 2023 , Edited by admin on Sat Dec 16 12:21:21 GMT 2023

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FDA UNII

9UX7T559VE

Created by admin on Sat Dec 16 12:21:21 GMT 2023 , Edited by admin on Sat Dec 16 12:21:21 GMT 2023

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EPA CompTox

DTXSID90161179

Created by admin on Sat Dec 16 12:21:21 GMT 2023 , Edited by admin on Sat Dec 16 12:21:21 GMT 2023

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