1,8-Dihydroxy-2,4,5-trinitro-9,10-anthracenedione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H5N3O10
Molecular Weight	375.2036
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,8-Dihydroxy-2,4,5-trinitro-9,10-anthracenedione

Structure Search

SMILES

OC1=CC=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ZBTXWMXJWUFKMS-UHFFFAOYSA-N

InChI=1S/C14H5N3O10/c18-7-2-1-4(15(22)23)8-10(7)14(21)11-9(13(8)20)5(16(24)25)3-6(12(11)19)17(26)27/h1-3,18-19H

HIDE SMILES / InChI

Molecular Formula	C14H5N3O10
Molecular Weight	375.2036
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:52:56 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:56 GMT 2025`
Record UNII	W4M26CJU8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,8-Dihydroxy-2,4,5-trinitro-9,10-anthracenedione

Systematic Name

English

9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-

Preferred Name

English

Code System Code Type Description

PUBCHEM

5484961

Created by admin on Tue Apr 01 17:52:56 GMT 2025 , Edited by admin on Tue Apr 01 17:52:56 GMT 2025

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ECHA (EC/EINECS)

267-682-1

Created by admin on Tue Apr 01 17:52:56 GMT 2025 , Edited by admin on Tue Apr 01 17:52:56 GMT 2025

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CAS

67905-61-7

Created by admin on Tue Apr 01 17:52:56 GMT 2025 , Edited by admin on Tue Apr 01 17:52:56 GMT 2025

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EPA CompTox

DTXSID5070816

Created by admin on Tue Apr 01 17:52:56 GMT 2025 , Edited by admin on Tue Apr 01 17:52:56 GMT 2025

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FDA UNII

W4M26CJU8R

Created by admin on Tue Apr 01 17:52:56 GMT 2025 , Edited by admin on Tue Apr 01 17:52:56 GMT 2025

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