SODIUM 4-CHLORO-.ALPHA.,.ALPHA.-BIS(3,5-DICHLORO-2-HYDROXYPHENYL)-O-TOLUENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H10Cl5O5S.Na
Molecular Weight	550.599
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 4-CHLORO-.ALPHA.,.ALPHA.-BIS(3,5-DICHLORO-2-HYDROXYPHENYL)-O-TOLUENESULFONATE

Structure Search

SMILES

[Na+].OC1=C(Cl)C=C(Cl)C=C1C(C2=CC(Cl)=CC(Cl)=C2O)C3=C(C=C(Cl)C=C3)S([O-])(=O)=O

InChI

InChIKey=WXWXUGZVOSQSQL-UHFFFAOYSA-M

InChI=1S/C19H11Cl5O5S.Na/c20-8-1-2-11(16(7-8)30(27,28)29)17(12-3-9(21)5-14(23)18(12)25)13-4-10(22)6-15(24)19(13)26;/h1-7,17,25-26H,(H,27,28,29);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C19H10Cl5O5S
Molecular Weight	527.61
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 08:01:18 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:18 GMT 2023`
Record UNII	MJI1EWU3NI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 4-CHLORO-.ALPHA.,.ALPHA.-BIS(3,5-DICHLORO-2-HYDROXYPHENYL)-O-TOLUENESULFONATE

Common Name

English

BENZENESULFONIC ACID, 2-(BIS(3,5-DICHLORO-2-HYDROXYPHENYL)METHYL)-5-CHLORO-, MONOSODIUM SALT

Common Name

English

LANOC CN

Brand Name

English

BENZENESULFONIC ACID, 2-(BIS(3,5-DICHLORO-2-HYDROXYPHENYL)METHYL)-5-CHLORO-, SODIUM SALT (1:1)

Systematic Name

English

O-TOLUENESULFONIC ACID, 5-CHLORO-.ALPHA.,.ALPHA.-BIS(3,5-DICHLORO-2-HYDROXYPHENYL)-, MONOSODIUM SALT

Systematic Name

English

EULAN CN

Brand Name

English

Code System Code Type Description

FDA UNII

MJI1EWU3NI

Created by admin on Sat Dec 16 08:01:18 GMT 2023 , Edited by admin on Sat Dec 16 08:01:18 GMT 2023

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CAS

4430-22-2

Created by admin on Sat Dec 16 08:01:18 GMT 2023 , Edited by admin on Sat Dec 16 08:01:18 GMT 2023

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EPA CompTox

DTXSID00895832

Created by admin on Sat Dec 16 08:01:18 GMT 2023 , Edited by admin on Sat Dec 16 08:01:18 GMT 2023

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PUBCHEM

44154423

Created by admin on Sat Dec 16 08:01:18 GMT 2023 , Edited by admin on Sat Dec 16 08:01:18 GMT 2023

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