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Details

Stereochemistry ACHIRAL
Molecular Formula C35H26Cl2N6O12S3
Molecular Weight 889.715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 7-[(4-Aminobenzoyl)amino]-3-[2-[4-[2-(2,5-dichloro-4-sulfophenyl)diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid

SMILES

CCOC1=C(\N=N\C2=C(O)C3=C(C=C(NC(=O)C4=CC=C(N)C=C4)C=C3)C=C2S(O)(=O)=O)C5=C(C=C(C=C5)S(O)(=O)=O)C(=C1)\N=N\C6=C(Cl)C=C(C(Cl)=C6)S(O)(=O)=O

InChI

InChIKey=FJESSIPNOBLNOQ-LINOHWEVSA-N
InChI=1S/C35H26Cl2N6O12S3/c1-2-55-29-16-27(40-41-28-14-26(37)30(15-25(28)36)57(49,50)51)24-13-21(56(46,47)48)8-10-23(24)32(29)42-43-33-31(58(52,53)54)12-18-11-20(7-9-22(18)34(33)44)39-35(45)17-3-5-19(38)6-4-17/h3-16,44H,2,38H2,1H3,(H,39,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b41-40+,43-42+

HIDE SMILES / InChI

Approval Year

Name Type Language
7-[(4-Aminobenzoyl)amino]-3-[2-[4-[2-(2,5-dichloro-4-sulfophenyl)diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid
Systematic Name English
2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-[2-[4-[2-(2,5-dichloro-4-sulfophenyl)diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-
Preferred Name English
2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-[[4-[(2,5-dichloro-4-sulfophenyl)azo]-2-ethoxy-6-sulfo-1-naphthalenyl]azo]-4-hydroxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
413419
Created by admin on Wed Apr 02 20:47:52 GMT 2025 , Edited by admin on Wed Apr 02 20:47:52 GMT 2025
PRIMARY
CAS
749144-15-8
Created by admin on Wed Apr 02 20:47:52 GMT 2025 , Edited by admin on Wed Apr 02 20:47:52 GMT 2025
PRIMARY
FDA UNII
3LW4PPN5RL
Created by admin on Wed Apr 02 20:47:52 GMT 2025 , Edited by admin on Wed Apr 02 20:47:52 GMT 2025
PRIMARY