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Details

Stereochemistry ACHIRAL
Molecular Formula C29H26ClN9O18S5
Molecular Weight 984.344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-6-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid

SMILES

CCOCCOC1=NC(NC2=CC=C(C(=C2)\N=N\C3=C(O)C4=C(N)C(N=NC5=CC(=CC=C5S(O)(=O)=O)S(O)(=O)=O)=C(C=C4C=C3S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=NC(Cl)=N1

InChI

InChIKey=ADAOGOICTXLZQC-QZHOZIARSA-N
InChI=1S/C29H26ClN9O18S5/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35)/b38-37+,39-36+

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Amino-6-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Systematic Name English
(3E)-5-Amino-3-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-6-[(2,5-disulfophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonic acid
Preferred Name English
4-Amino-6-((5-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-3-((2,5-disulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
135570860
Created by admin on Wed Apr 02 19:07:31 GMT 2025 , Edited by admin on Wed Apr 02 19:07:31 GMT 2025
PRIMARY
CAS
29674-65-5
Created by admin on Wed Apr 02 19:07:31 GMT 2025 , Edited by admin on Wed Apr 02 19:07:31 GMT 2025
PRIMARY
FDA UNII
R5FHF3W6JV
Created by admin on Wed Apr 02 19:07:31 GMT 2025 , Edited by admin on Wed Apr 02 19:07:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID801099169
Created by admin on Wed Apr 02 19:07:31 GMT 2025 , Edited by admin on Wed Apr 02 19:07:31 GMT 2025
PRIMARY