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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H16N4O4S
Molecular Weight 432.452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

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

SMILES

OC1=CC=C2C=CC=CC2=C1\N=N\C3=CC=C(C=C3)\N=N\C4=CC=C(C=C4)S(O)(=O)=O

InChI

InChIKey=LEYJJTBJCFGAQN-QSZPNPOGSA-N
InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)/b24-23+,26-25+

HIDE SMILES / InChI

Molecular Formula C22H16N4O4S
Molecular Weight 432.452
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 17:40:40 GMT 2025
Edited
by admin
on Tue Apr 01 17:40:40 GMT 2025
Record UNII
657CH6H6AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 4-[[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]azo]-
Preferred Name English
4-[[4-[(2-Hydroxy-1-naphthyl)azo]phenyl]azo]benzenesulfonic acid
Systematic Name English
4-[[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonicacid
Systematic Name English
4-[2-[4-[2-(2-Hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Systematic Name English
4?-[2-Hydroxynaphthyl-1-azo]azobenzol-4-sulfonic acid
Common Name English
Benzenesulfonic acid, 4-[2-[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]-
Systematic Name English
Code System Code Type Description
CAS
37678-79-8
Created by admin on Tue Apr 01 17:40:40 GMT 2025 , Edited by admin on Tue Apr 01 17:40:40 GMT 2025
PRIMARY
FDA UNII
657CH6H6AE
Created by admin on Tue Apr 01 17:40:40 GMT 2025 , Edited by admin on Tue Apr 01 17:40:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-621-6
Created by admin on Tue Apr 01 17:40:40 GMT 2025 , Edited by admin on Tue Apr 01 17:40:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID8068046
Created by admin on Tue Apr 01 17:40:40 GMT 2025 , Edited by admin on Tue Apr 01 17:40:40 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT