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Details

Stereochemistry ACHIRAL
Molecular Formula C30H16N4O13S4.4Na
Molecular Weight 860.686
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BRILLIANT BLACK

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=C(C=C2C=C(C=CC2=C1\N=N\C3=C4C=CC=CC4=C(C=C3)\N=N\C5=CC6=C(C=C(C=C6C=C5)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ORBNBYIWHMHZGY-JAWTWEDGSA-J
InChI=1S/C30H20N4O13S4.4Na/c35-30-28(51(45,46)47)13-17-12-19(48(36,37)38)7-8-21(17)29(30)34-33-26-10-9-25(22-3-1-2-4-23(22)26)32-31-18-6-5-16-11-20(49(39,40)41)15-27(24(16)14-18)50(42,43)44;;;;/h1-15,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b32-31+,34-33+;;;;

HIDE SMILES / InChI

Molecular Formula C30H16N4O13S4
Molecular Weight 768.727
Charge -4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
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 08:14:03 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:03 GMT 2023
Record UNII
MQF6L45YQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRILLIANT BLACK
Common Name English
C.I. ACID BLACK 3, TETRASODIUM SALT
Common Name English
1,3-NAPHTHALENEDISULFONIC ACID, 7-((4-((2-HYDROXY-3,6-DISULFO-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-, TETRASODIUM SALT
Common Name English
CI 27260
Common Name English
C.I. 27260
Common Name English
1,3-NAPHTHALENEDISULFONIC ACID, 7-(2-(4-(2-(2-HYDROXY-3,6-DISULFO-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:4)
Common Name English
Code System Code Type Description
CAS
4197-00-6
Created by admin on Sat Dec 16 08:14:03 GMT 2023 , Edited by admin on Sat Dec 16 08:14:03 GMT 2023
PRIMARY
FDA UNII
MQF6L45YQF
Created by admin on Sat Dec 16 08:14:03 GMT 2023 , Edited by admin on Sat Dec 16 08:14:03 GMT 2023
PRIMARY