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Details

Stereochemistry ACHIRAL
Molecular Formula C29H20ClN9O12S4
Molecular Weight 850.235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 2-[[4-[[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonic acid

SMILES

NC1=NC(Cl)=NC(NC2=CC=C(\N=N\C3=CC=C(\N=N\C4=C(C=CC(=C4)S(O)(=O)=O)S(O)(=O)=O)C5=C3C=CC(=C5)S(O)(=O)=O)C6=C2C=CC(=C6)S(O)(=O)=O)=N1

InChI

InChIKey=RJCHVGOGCYBMCT-DVQJGIKISA-N
InChI=1S/C29H20ClN9O12S4/c30-27-33-28(31)35-29(34-27)32-21-6-7-23(19-11-14(52(40,41)42)1-4-17(19)21)37-36-22-8-9-24(20-12-15(53(43,44)45)2-5-18(20)22)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35)/b37-36+,39-38+

HIDE SMILES / InChI

Molecular Formula C29H20ClN9O12S4
Molecular Weight 850.235
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 Sat Dec 16 20:22:51 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:51 GMT 2023
Record UNII
7VK3QF43BC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[4-[[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonic acid
Systematic Name English
1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-
Systematic Name English
2-[2-[4-[2-[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-1,4-benzenedisulfonic acid
Systematic Name English
Code System Code Type Description
CAS
687613-36-1
Created by admin on Sat Dec 16 20:22:51 GMT 2023 , Edited by admin on Sat Dec 16 20:22:51 GMT 2023
PRIMARY
FDA UNII
7VK3QF43BC
Created by admin on Sat Dec 16 20:22:51 GMT 2023 , Edited by admin on Sat Dec 16 20:22:51 GMT 2023
PRIMARY