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Details

Stereochemistry ACHIRAL
Molecular Formula C17H11ClF3N3O4S
Molecular Weight 445.8
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-Amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid

SMILES

NC1=C(\N=N\C2=CC=C(Cl)C=C2C(F)(F)F)C3=C(C=C1)C=C(C=C3O)S(O)(=O)=O

InChI

InChIKey=QUNVBZBEOIMRIE-WCWDXBQESA-N
InChI=1S/C17H11ClF3N3O4S/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16/h1-7,25H,22H2,(H,26,27,28)/b24-23+

HIDE SMILES / InChI

Molecular Formula C17H11ClF3N3O4S
Molecular Weight 445.8
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:36:43 GMT 2025
Edited
by admin
on Tue Apr 01 17:36:43 GMT 2025
Record UNII
GLT4YW2VUJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid
Systematic Name English
2-Naphthalenesulfonic acid, 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy-
Preferred Name English
2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-
Systematic Name English
2-Naphthalenesulfonic acid, 6-amino-5-[(4-chloro-?,?,?-trifluoro-o-tolyl)azo]-4-hydroxy-
Systematic Name English
Code System Code Type Description
CAS
3836-78-0
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-327-2
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
PUBCHEM
42555
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID8063206
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
FDA UNII
GLT4YW2VUJ
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY