2,4,6-Triiodotrimesic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H3I3O6
Molecular Weight	587.8299
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,6-Triiodotrimesic acid

Structure Search

SMILES

OC(=O)C1=C(I)C(C(O)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=YLJAKJSGUDBOHG-UHFFFAOYSA-N

InChI=1S/C9H3I3O6/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16/h(H,13,14)(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C9H3I3O6
Molecular Weight	587.8299
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 18:41:45 GMT 2025` Edited by `admin` on `Tue Apr 01 18:41:45 GMT 2025`
Record UNII	J9Q39HFD58
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-Triiodotrimesic acid

Common Name

English

1,3,5-Benzenetricarboxylic acid, 2,4,6-triiodo-

Preferred Name

English

2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

79211-41-9

Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025

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FDA UNII

J9Q39HFD58

Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025

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PUBCHEM

133178

Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025

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ECHA (EC/EINECS)

279-112-9

Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025

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EPA CompTox

DTXSID90229581

Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025

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