DIRECT BLUE 81

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H27N7O14S4.4Na
Molecular Weight	1121.964
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=CC(=CC2=CC(=CC(\N=N\C3=C4C=CC=CC4=C(C=C3)\N=N\C5=C6C=CC(=CC6=C(C=C5)\N=N\C7=C(C=C8C=C(NC9=CC=CC=C9)C=CC8=C7O)S([O-])(=O)=O)S([O-])(=O)=O)=C12)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=KQZDRGKMSIEFDF-MJFZQJADSA-J

InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48+,52-50+,53-51+;;;;

HIDE SMILES / InChI

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

Molecular Formula	C46H27N7O14S4
Molecular Weight	1030.005
Charge	-4
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:20:13 GMT 2025` Edited by `admin` on `Tue Apr 01 17:20:13 GMT 2025`
Record UNII	3AI8M8YWKB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 81

Common Name

English

C.I. 34215

Preferred Name

English

CI 34215

Common Name

English

C.I. DIRECT BLUE 81

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-5-(2-(4-(2-(4-(2-(1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-6-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:4)

Systematic Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-5-((4-((4-((1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)AZO)-6-SULFO-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-, TETRASODIUM SALT

Systematic Name

English

C.I. DIRECT BLUE 81, TETRASODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

3AI8M8YWKB

Created by admin on Tue Apr 01 17:20:13 GMT 2025 , Edited by admin on Tue Apr 01 17:20:13 GMT 2025

PRIMARY

ECHA (EC/EINECS)

228-374-2

Created by admin on Tue Apr 01 17:20:13 GMT 2025 , Edited by admin on Tue Apr 01 17:20:13 GMT 2025

PRIMARY

CAS

6252-57-9

Created by admin on Tue Apr 01 17:20:13 GMT 2025 , Edited by admin on Tue Apr 01 17:20:13 GMT 2025

PRIMARY

Related Record Type Details


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DIRECT BLUE 81 FREE ACID

PARENT -> SALT/SOLVATE