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=C2C(=CC(=C1)S([O-])(=O)=O)C=C(C=C2\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=C(O)C6=CC=C(NC7=CC=CC=C7)C=C6C=C5S([O-])(=O)=O)C8=CC(=CC=C48)S([O-])(=O)=O)C9=CC=CC=C39)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	C46H27N7O14S4
Molecular Weight	1030.005
Charge	-4
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 11:53:46 GMT 2023` Edited by `admin` on `Sat Dec 16 11:53:46 GMT 2023`
Record UNII	3AI8M8YWKB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 81

Common 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. 34215

Common Name

English

C.I. DIRECT BLUE 81, TETRASODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

3AI8M8YWKB

Created by admin on Sat Dec 16 11:53:46 GMT 2023 , Edited by admin on Sat Dec 16 11:53:46 GMT 2023

PRIMARY

ECHA (EC/EINECS)

228-374-2

Created by admin on Sat Dec 16 11:53:46 GMT 2023 , Edited by admin on Sat Dec 16 11:53:46 GMT 2023

PRIMARY

CAS

6252-57-9

Created by admin on Sat Dec 16 11:53:46 GMT 2023 , Edited by admin on Sat Dec 16 11:53:46 GMT 2023

PRIMARY

Related Record Type Details


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DIRECT BLUE 81 FREE ACID

PARENT -> SALT/SOLVATE