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Details

Stereochemistry ACHIRAL
Molecular Formula C19H15F3N4O5S
Molecular Weight 468.406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-(4-(ACETYLAMINO)-2-(TRIFLUOROMETHYL)PHENYL)DIAZENYL)-6-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID

SMILES

CC(=O)NC1=CC=C(N=NC2=C(N)C=CC3=C2C(O)=CC(=C3)S(O)(=O)=O)C(=C1)C(F)(F)F

InChI

InChIKey=WZMFZOXPBUCMPA-UHFFFAOYSA-N
InChI=1S/C19H15F3N4O5S/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C19H15F3N4O5S
Molecular Weight 468.406
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 Sat Dec 16 12:20:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:20:47 GMT 2023
Record UNII
9G77SUU52Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-(4-(ACETYLAMINO)-2-(TRIFLUOROMETHYL)PHENYL)DIAZENYL)-6-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 5-((4-(ACETYLAMINO)-2-(TRIFLUOROMETHYL)PHENYL)AZO)-6-AMINO-4-HYDROXY-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
271-617-2
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
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PUBCHEM
110616
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID0071702
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
FDA UNII
9G77SUU52Q
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
CAS
68594-62-7
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY