4-(2-(3-(((1,1-DIMETHYLETHYL)AMINO)SULFONYL)-4-HYDROXY-8-((METHYLSULFONYL)AMINO)-1-NAPHTHALENYL)DIAZENYL)BENZENESULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H24N4O8S3
Molecular Weight	556.632
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-(2-(3-(((1,1-DIMETHYLETHYL)AMINO)SULFONYL)-4-HYDROXY-8-((METHYLSULFONYL)AMINO)-1-NAPHTHALENYL)DIAZENYL)BENZENESULFONIC ACID

Structure Search

SMILES

CC(C)(C)NS(=O)(=O)C1=CC(\N=N\C2=CC=C(C=C2)S(O)(=O)=O)=C3C(NS(C)(=O)=O)=CC=CC3=C1O

InChI

InChIKey=XFRJLKYCTFMGRC-GHVJWSGMSA-N

InChI=1S/C21H24N4O8S3/c1-21(2,3)25-35(29,30)18-12-17(23-22-13-8-10-14(11-9-13)36(31,32)33)19-15(20(18)26)6-5-7-16(19)24-34(4,27)28/h5-12,24-26H,1-4H3,(H,31,32,33)/b23-22+

HIDE SMILES / InChI

Molecular Formula	C21H24N4O8S3
Molecular Weight	556.632
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:09:37 GMT 2025` Edited by `admin` on `Wed Apr 02 09:09:37 GMT 2025`
Record UNII	4Y50LD1XTW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENESULFONIC ACID, 4-((3-(((1,1-DIMETHYLETHYL)AMINO)SULFONYL)-4-HYDROXY-8-((METHYLSULFONYL)AMINO)-1-NAPHTHALENYL)AZO)-

Preferred Name

English

4-(2-(3-(((1,1-DIMETHYLETHYL)AMINO)SULFONYL)-4-HYDROXY-8-((METHYLSULFONYL)AMINO)-1-NAPHTHALENYL)DIAZENYL)BENZENESULFONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

63148-77-6

Created by admin on Wed Apr 02 09:09:37 GMT 2025 , Edited by admin on Wed Apr 02 09:09:37 GMT 2025

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FDA UNII

4Y50LD1XTW

Created by admin on Wed Apr 02 09:09:37 GMT 2025 , Edited by admin on Wed Apr 02 09:09:37 GMT 2025

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EPA CompTox

DTXSID4069717

Created by admin on Wed Apr 02 09:09:37 GMT 2025 , Edited by admin on Wed Apr 02 09:09:37 GMT 2025

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ECHA (EC/EINECS)

263-929-2

Created by admin on Wed Apr 02 09:09:37 GMT 2025 , Edited by admin on Wed Apr 02 09:09:37 GMT 2025

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