1,8-DINITROPYRENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H8N2O4
Molecular Weight	292.2457
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,8-DINITROPYRENE

Structure Search

SMILES

[O-][N+](=O)C1=CC=C2C=CC3=C4C(C=CC1=C24)=C(C=C3)[N+]([O-])=O

InChI

InChIKey=BLYXNIHKOMELAP-UHFFFAOYSA-N

InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H

HIDE SMILES / InChI

Molecular Formula	C16H8N2O4
Molecular Weight	292.2457
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 `Fri Dec 15 17:12:47 GMT 2023` Edited by `admin` on `Fri Dec 15 17:12:47 GMT 2023`
Record UNII	51U7E9MW6I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,8-DINITROPYRENE

Systematic Name

English

PYRENE, 1,8-DINITRO-

Systematic Name

English

DINITROPYRENE, 1,8-

Systematic Name

English

1,8-DINITROPYRENE [IARC]

Common Name

English

1,8-DINITROPYRENE [HSDB]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45182

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

Code System Code Type Description

FDA UNII

51U7E9MW6I

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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CAS

42397-65-9

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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PUBCHEM

39185

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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NCI_THESAURUS

C44300

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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HSDB

7873

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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MESH

C033310

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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EPA CompTox

DTXSID2073514

Created by admin on Fri Dec 15 17:12:47 GMT 2023 , Edited by admin on Fri Dec 15 17:12:47 GMT 2023

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