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Details

Stereochemistry ACHIRAL
Molecular Formula C35H26N10O8S2.2Na
Molecular Weight 824.753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of Direct black 166

SMILES

[Na+].[Na+].NC1=CC=C(\N=N\C2=CC=C(NC(=O)C3=CC=C(C=C3)\N=N\C4=C(C=C5C=C(C(\N=N\C6=CC=CC=C6)=C(O)C5=C4N)S([O-])(=O)=O)S([O-])(=O)=O)C=C2)C(N)=C1

InChI

InChIKey=HADJHXHBAFQEAO-OTVSVDOTSA-L
InChI=1S/C35H28N10O8S2.2Na/c36-21-8-15-27(26(37)18-21)43-40-25-13-11-22(12-14-25)39-35(47)19-6-9-24(10-7-19)42-44-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)38)45-41-23-4-2-1-3-5-23;;/h1-18,46H,36-38H2,(H,39,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b43-40+,44-42+,45-41+;;

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 C35H26N10O8S2
Molecular Weight 778.773
Charge -2
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 Wed Apr 02 20:33:26 GMT 2025
Edited
by admin
on Wed Apr 02 20:33:26 GMT 2025
Record UNII
XY4YK52V2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
Preferred Name English
Direct black 166
Common Name English
2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt
Common Name English
C.I. Direct Black 166
Common Name English
Code System Code Type Description
FDA UNII
XY4YK52V2L
Created by admin on Wed Apr 02 20:33:26 GMT 2025 , Edited by admin on Wed Apr 02 20:33:26 GMT 2025
PRIMARY
CAS
57131-19-8
Created by admin on Wed Apr 02 20:33:26 GMT 2025 , Edited by admin on Wed Apr 02 20:33:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID20889773
Created by admin on Wed Apr 02 20:33:26 GMT 2025 , Edited by admin on Wed Apr 02 20:33:26 GMT 2025
PRIMARY