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Details

Stereochemistry ACHIRAL
Molecular Formula C30H26N12O6S2
Molecular Weight 714.734
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid

SMILES

NC1=CC(N)=C(C=C1\N=N\C2=CC=C(C=C2)S(O)(=O)=O)\N=N\C3=CC=CC(=C3)\N=N\C4=C(N)C=C(N)C(=C4)\N=N\C5=CC=C(C=C5)S(O)(=O)=O

InChI

InChIKey=VQTOPLCPNHCQCO-IIUFEWCLSA-N
InChI=1S/C30H26N12O6S2/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48)/b39-35+,40-36+,41-37+,42-38+

HIDE SMILES / InChI

Molecular Formula C30H26N12O6S2
Molecular Weight 714.734
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:55:10 GMT 2025
Edited
by admin
on Wed Apr 02 20:55:10 GMT 2025
Record UNII
NDH2EJS8T9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid
Systematic Name English
C.I. Direct Brown 44
Preferred Name English
Benzenesulfonic acid, 4,4?-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-
Systematic Name English
Code System Code Type Description
PUBCHEM
80399
Created by admin on Wed Apr 02 20:55:10 GMT 2025 , Edited by admin on Wed Apr 02 20:55:10 GMT 2025
PRIMARY
FDA UNII
NDH2EJS8T9
Created by admin on Wed Apr 02 20:55:10 GMT 2025 , Edited by admin on Wed Apr 02 20:55:10 GMT 2025
PRIMARY
CAS
25180-42-1
Created by admin on Wed Apr 02 20:55:10 GMT 2025 , Edited by admin on Wed Apr 02 20:55:10 GMT 2025
PRIMARY