DIRECT BLUE 186

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H22N7O10S3.3Na
Molecular Weight	877.765
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].NC1=CC=C2C(=C1)C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=CC(=CC=C5)S([O-])(=O)=O)C6=CC=CC=C46)C7=CC=C(C=C37)S([O-])(=O)=O)=C2O)S([O-])(=O)=O

InChI

InChIKey=HVKGFDFDNQFZFC-AFZDYOOLSA-K

InChI=1S/C36H25N7O10S3.3Na/c37-21-8-10-25-20(16-21)17-34(56(51,52)53)35(36(25)44)43-42-33-15-14-32(28-11-9-24(19-29(28)33)55(48,49)50)41-40-31-13-12-30(26-6-1-2-7-27(26)31)39-38-22-4-3-5-23(18-22)54(45,46)47;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-38+,41-40+,43-42+;;;

HIDE SMILES / InChI

Molecular Formula	C36H22N7O10S3
Molecular Weight	808.796
Charge	-3
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 18:39:01 GMT 2023` Edited by `admin` on `Sat Dec 16 18:39:01 GMT 2023`
Record UNII	3FWL9N70FH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 186

Common Name

English

SATURN BLUE LRR

Brand Name

English

C.I. DIRECT BLUE 186, TRISODIUM SALT

Common Name

English

2-NAPHTHALENESULFONIC ACID, 7-AMINO-4-HYDROXY-3-(2-(7-SULFO-4-(2-(4-(2-(3-SULFOPHENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

C.I. 34139

Code

English

HELION NAVY BLUE GL

Brand Name

English

C.I. DIRECT BLUE 186

Common Name

English

CI 34139

Common Name

English

2-NAPHTHALENESULFONIC ACID, 7-AMINO-4-HYDROXY-3-((7-SULFO-4-((4-((3-SULFOPHENYL)AZO)-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-, TRISODIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

3FWL9N70FH

Created by admin on Sat Dec 16 18:39:01 GMT 2023 , Edited by admin on Sat Dec 16 18:39:01 GMT 2023

PRIMARY

CAS

6416-70-2

Created by admin on Sat Dec 16 18:39:01 GMT 2023 , Edited by admin on Sat Dec 16 18:39:01 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

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DIRECT BLUE 186 FREE ACID

PARENT -> SALT/SOLVATE