BIS(3,7-DICHLOROPHENIODOXIN-5-IUM) SULFATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C12H6Cl2IO.O4S
Molecular Weight	824.034
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BIS(3,7-DICHLOROPHENIODOXIN-5-IUM) SULFATE

Structure Search

SMILES

[O-]S([O-])(=O)=O.ClC1=CC2=C(OC3=CC=C(Cl)C=C3[I+]2)C=C1.ClC4=CC5=C(OC6=CC=C(Cl)C=C6[I+]5)C=C4

InChI

InChIKey=DEOWILAJXSUHKB-UHFFFAOYSA-L

InChI=1S/2C12H6Cl2IO.H2O4S/c2*13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11;1-5(2,3)4/h2*1-6H;(H2,1,2,3,4)/q2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula	O4S
Molecular Weight	96.063
Charge	-2
Count

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

Molecular Formula	C12H6Cl2IO
Molecular Weight	363.986
Charge	1
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 16:48:30 GMT 2023` Edited by `admin` on `Fri Dec 15 16:48:30 GMT 2023`
Record UNII	28423ENQ6G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIS(3,7-DICHLOROPHENIODOXIN-5-IUM) SULFATE

Common Name

English

PHENIODOXIN-5-IUM, 3,7-DICHLORO-, SULFATE (2:1)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

110501

Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023

Code System Code Type Description

PUBCHEM

86278126

Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023

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CAS

5853-52-1

Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023

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FDA UNII

28423ENQ6G

Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023

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EPA CompTox

DTXSID60109104

Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023

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