4,5,6,7-Tetrachloro-2-octyl-1H-isoindole-1,3(2H)-dione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17Cl4NO2
Molecular Weight	397.124
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5,6,7-Tetrachloro-2-octyl-1H-isoindole-1,3(2H)-dione

Structure Search

SMILES

CCCCCCCCN1C(=O)C2=C(C1=O)C(Cl)=C(Cl)C(Cl)=C2Cl

InChI

InChIKey=JLDDLKBDGUOXJC-UHFFFAOYSA-N

InChI=1S/C16H17Cl4NO2/c1-2-3-4-5-6-7-8-21-15(22)9-10(16(21)23)12(18)14(20)13(19)11(9)17/h2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C16H17Cl4NO2
Molecular Weight	397.124
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 19:05:13 GMT 2025` Edited by `admin` on `Tue Apr 01 19:05:13 GMT 2025`
Record UNII	XEY539P99X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5,6,7-Tetrachloro-2-octyl-1H-isoindole-1,3(2H)-dione

Systematic Name

English

1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-octyl-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

267-654-9

Created by admin on Tue Apr 01 19:05:13 GMT 2025 , Edited by admin on Tue Apr 01 19:05:13 GMT 2025

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CAS

67905-35-5

Created by admin on Tue Apr 01 19:05:13 GMT 2025 , Edited by admin on Tue Apr 01 19:05:13 GMT 2025

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FDA UNII

XEY539P99X

Created by admin on Tue Apr 01 19:05:13 GMT 2025 , Edited by admin on Tue Apr 01 19:05:13 GMT 2025

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PUBCHEM

106040

Created by admin on Tue Apr 01 19:05:13 GMT 2025 , Edited by admin on Tue Apr 01 19:05:13 GMT 2025

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EPA CompTox

DTXSID1070804

Created by admin on Tue Apr 01 19:05:13 GMT 2025 , Edited by admin on Tue Apr 01 19:05:13 GMT 2025

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