DIRECT BLACK 168

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H24N9O11S3.3Na
Molecular Weight	899.772
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].NC1=CC(O)=CC=C1\N=N\C2=CC=C(NC3=C(C=C(C=C3)\N=N\C4=C(N)C5=C(C=C4S([O-])(=O)=O)C=C(C(\N=N\C6=CC=CC=C6)=C5O)S([O-])(=O)=O)S([O-])(=O)=O)C=C2

InChI

InChIKey=GWAKFAUFNNPZFE-BSEXFYEPSA-K

InChI=1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b41-38+,42-40+,43-39+;;;

HIDE SMILES / InChI

Molecular Formula	C34H24N9O11S3
Molecular Weight	830.803
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Mon Mar 31 22:09:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:09:45 GMT 2025`
Record UNII	Q4J99F28EY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLACK 168

Common Name

English

CORIACIDE BLACK SB

Preferred Name

English

DIRECT BLACK HEF

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-(2-(4-((4-(2-(2-AMINO-4-HYDROXYPHENYL)DIAZENYL)PHENYL)AMINO)-3-SULFOPHENYL)DIAZENYL)-5-HYDROXY-6-(2-PHENYLDIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

C.I. DIRECT BLACK 168

Common Name

English

Code System Code Type Description

FDA UNII

Q4J99F28EY

Created by admin on Mon Mar 31 22:09:45 GMT 2025 , Edited by admin on Mon Mar 31 22:09:45 GMT 2025

PRIMARY

ECHA (EC/EINECS)

288-038-6

Created by admin on Mon Mar 31 22:09:45 GMT 2025 , Edited by admin on Mon Mar 31 22:09:45 GMT 2025

PRIMARY

CAS

85631-88-5

Created by admin on Mon Mar 31 22:09:45 GMT 2025 , Edited by admin on Mon Mar 31 22:09:45 GMT 2025

PRIMARY

EPA CompTox

DTXSID90890417

Created by admin on Mon Mar 31 22:09:45 GMT 2025 , Edited by admin on Mon Mar 31 22:09:45 GMT 2025

PRIMARY