U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H18N4O4S
Molecular Weight 446.478
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3-[[4-[(2-Hydroxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulfonic acid

SMILES

CC1=CC=C(O)C(=C1)N=NC2=C3C=CC=CC3=C(C=C2)N=NC4=CC=CC(=C4)S(O)(=O)=O

InChI

InChIKey=YZPDBHYMZMUJHD-JQRDNDPDSA-N
InChI=1S/C23H18N4O4S/c1-15-9-12-23(28)22(13-15)27-26-21-11-10-20(18-7-2-3-8-19(18)21)25-24-16-5-4-6-17(14-16)32(29,30)31/h2-14,28H,1H3,(H,29,30,31)/b25-24+,27-26+

HIDE SMILES / InChI

Molecular Formula C23H18N4O4S
Molecular Weight 446.478
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 Tue Apr 01 17:48:19 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:19 GMT 2025
Record UNII
3P94TR4ZRJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[4-[(2-Hydroxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulfonic acid
Systematic Name English
BENZENESULFONIC ACID, 3-((4-((2-HYDROXY-5-METHYLPHENYL)AZO)-1-NAPHTHALENYL)AZO)-
Preferred Name English
Benzenesulfonic acid, 3-[2-[4-[2-(2-hydroxy-5-methylphenyl)diazenyl]-1-naphthalenyl]diazenyl]-
Systematic Name English
3-[2-[4-[2-(2-Hydroxy-5-methylphenyl)diazenyl]-1-naphthalenyl]diazenyl]benzenesulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
264-048-6
Created by admin on Tue Apr 01 17:48:19 GMT 2025 , Edited by admin on Tue Apr 01 17:48:19 GMT 2025
PRIMARY
FDA UNII
3P94TR4ZRJ
Created by admin on Tue Apr 01 17:48:19 GMT 2025 , Edited by admin on Tue Apr 01 17:48:19 GMT 2025
PRIMARY
CAS
63251-41-2
Created by admin on Tue Apr 01 17:48:19 GMT 2025 , Edited by admin on Tue Apr 01 17:48:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID8069804
Created by admin on Tue Apr 01 17:48:19 GMT 2025 , Edited by admin on Tue Apr 01 17:48:19 GMT 2025
PRIMARY
PUBCHEM
105936
Created by admin on Tue Apr 01 17:48:19 GMT 2025 , Edited by admin on Tue Apr 01 17:48:19 GMT 2025
PRIMARY