SODIUM 4-((3-((2,4-DIMETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENY)DIAZENYL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H17N4O5S.Na
Molecular Weight	448.428
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 4-((3-((2,4-DIMETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENY)DIAZENYL)BENZENESULFONATE

Structure Search

SMILES

[Na+].CC1=CC=C(\N=N\C2=C(O)C=CC(\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)=C2O)C(C)=C1

InChI

InChIKey=FIKBURFLPVUDAX-BAYNMDCWSA-M

InChI=1S/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1/b23-21+,24-22+;

HIDE SMILES / InChI

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

Molecular Formula	C20H17N4O5S
Molecular Weight	425.438
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:37 GMT 2023` Edited by `admin` on `Fri Dec 15 16:30:37 GMT 2023`
Record UNII	K870FJ9VYZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 4-((3-((2,4-DIMETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENY)DIAZENYL)BENZENESULFONATE

Common Name

English

BENZENESULFONIC ACID, 4-(2-(3-(2-(2,4-DIMETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENYL)DIAZENYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID401014664

Created by admin on Fri Dec 15 16:30:37 GMT 2023 , Edited by admin on Fri Dec 15 16:30:37 GMT 2023

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CAS

6371-84-2

Created by admin on Fri Dec 15 16:30:37 GMT 2023 , Edited by admin on Fri Dec 15 16:30:37 GMT 2023

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ECHA (EC/EINECS)

228-900-0

Created by admin on Fri Dec 15 16:30:37 GMT 2023 , Edited by admin on Fri Dec 15 16:30:37 GMT 2023

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FDA UNII

K870FJ9VYZ

Created by admin on Fri Dec 15 16:30:37 GMT 2023 , Edited by admin on Fri Dec 15 16:30:37 GMT 2023

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