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Details

Stereochemistry ACHIRAL
Molecular Formula C24H18ClN7O10S3
Molecular Weight 696.089
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[2-[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid

SMILES

CN(C1=CC2=C(C=C1)C(O)=C(\N=N\C3=C(C4=C(C=C3)C(=CC=C4)S(O)(=O)=O)S(O)(=O)=O)C(=C2)S(O)(=O)=O)C5=NC(N)=NC(Cl)=N5

InChI

InChIKey=JTQUSZACCUVZLO-NVQSTNCTSA-N
InChI=1S/C24H18ClN7O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29)/b31-30+

HIDE SMILES / InChI

Molecular Formula C24H18ClN7O10S3
Molecular Weight 696.089
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:31:59 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:59 GMT 2025
Record UNII
P75WZ75VGJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2-[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid
Systematic Name English
1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-
Preferred Name English
1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-
Systematic Name English
2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid
Systematic Name English
2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthyl)azo)naphthalene-1,5-disulfonic acid
Systematic Name English
Code System Code Type Description
FDA UNII
P75WZ75VGJ
Created by admin on Wed Apr 02 20:31:59 GMT 2025 , Edited by admin on Wed Apr 02 20:31:59 GMT 2025
PRIMARY
PUBCHEM
94661
Created by admin on Wed Apr 02 20:31:59 GMT 2025 , Edited by admin on Wed Apr 02 20:31:59 GMT 2025
PRIMARY
CAS
77365-26-5
Created by admin on Wed Apr 02 20:31:59 GMT 2025 , Edited by admin on Wed Apr 02 20:31:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID80867931
Created by admin on Wed Apr 02 20:31:59 GMT 2025 , Edited by admin on Wed Apr 02 20:31:59 GMT 2025
PRIMARY
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