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Details

Stereochemistry ACHIRAL
Molecular Formula C34H29N13O13S4
Molecular Weight 955.933
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-3,6-bis[2-[4-[2-(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid

SMILES

NC1=CC(N)=C(C=C1S(O)(=O)=O)\N=N\C2=CC=C(C=C2)\N=N\C3=C(O)C4=C(N)C(\N=N\C5=CC=C(C=C5)\N=N\C6=C(N)C=C(N)C(=C6)S(O)(=O)=O)=C(C=C4C=C3S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=FXXFIMKBSJLZJX-SSBBCRENSA-N
InChI=1S/C34H29N13O13S4/c35-20-11-22(37)26(61(49,50)51)13-24(20)44-40-16-1-5-18(6-2-16)42-46-32-28(63(55,56)57)9-15-10-29(64(58,59)60)33(34(48)30(15)31(32)39)47-43-19-7-3-17(4-8-19)41-45-25-14-27(62(52,53)54)23(38)12-21(25)36/h1-14,48H,35-39H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b44-40+,45-41+,46-42+,47-43+

HIDE SMILES / InChI

Molecular Formula C34H29N13O13S4
Molecular Weight 955.933
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 17:09:07 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:07 GMT 2025
Record UNII
AVQ43T577E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[4-[2-(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-
Preferred Name English
4-Amino-3,6-bis[2-[4-[2-(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Systematic Name English
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[4-[(2,4-diamino-5-sulfophenyl)azo]phenyl]azo]-5-hydroxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301038360
Created by admin on Wed Apr 02 17:09:07 GMT 2025 , Edited by admin on Wed Apr 02 17:09:07 GMT 2025
PRIMARY
CAS
73944-13-5
Created by admin on Wed Apr 02 17:09:07 GMT 2025 , Edited by admin on Wed Apr 02 17:09:07 GMT 2025
PRIMARY
FDA UNII
AVQ43T577E
Created by admin on Wed Apr 02 17:09:07 GMT 2025 , Edited by admin on Wed Apr 02 17:09:07 GMT 2025
PRIMARY