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

Structure Search

SMILES

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

InChI

InChIKey=PWHBDORZBPMMKL-BAYNMDCWSA-M

InChI=1S/C20H18N4O5S.Na/c1-12-4-3-5-16(13(12)2)22-24-19-18(25)11-10-17(20(19)26)23-21-14-6-8-15(9-7-14)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 15:58:55 GMT 2023` Edited by `admin` on `Fri Dec 15 15:58:55 GMT 2023`
Record UNII	A789IY935V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

89784-93-0

Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023

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FDA UNII

A789IY935V

Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023

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PUBCHEM

91617507

Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023

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