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Details

Stereochemistry ACHIRAL
Molecular Formula C36H27N7O9S2
Molecular Weight 765.771
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 7-[[3-[(4-Aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenesulfonic acid

SMILES

NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)C(=O)NC3=CC4=C(C=C3)C(O)=C(\N=N\C5=CC=C(C=C5)\N=N\C6=CC=C(C=C6)S(O)(=O)=O)C(=C4)S(O)(=O)=O

InChI

InChIKey=OLMUVGULQUUYMK-LINOHWEVSA-N
InChI=1S/C36H27N7O9S2/c37-24-6-4-21(5-7-24)35(45)38-28-3-1-2-22(18-28)36(46)39-29-14-17-31-23(19-29)20-32(54(50,51)52)33(34(31)44)43-42-26-10-8-25(9-11-26)40-41-27-12-15-30(16-13-27)53(47,48)49/h1-20,44H,37H2,(H,38,45)(H,39,46)(H,47,48,49)(H,50,51,52)/b41-40+,43-42+

HIDE SMILES / InChI

Molecular Formula C36H27N7O9S2
Molecular Weight 765.771
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:28:50 GMT 2025
Edited
by admin
on Wed Apr 02 20:28:50 GMT 2025
Record UNII
7FV872ZS7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-[[3-[(4-Aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Systematic Name English
2-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-
Preferred Name English
2-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-
Systematic Name English
Code System Code Type Description
PUBCHEM
72698
Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025
PRIMARY
FDA UNII
7FV872ZS7W
Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025
PRIMARY
CAS
756412-50-7
Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT