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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C20H13N2O5S.Zn
Molecular Weight 852.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, zinc salt (2:1)

SMILES

[Zn++].OC1=C(\N=N\C2=C(O)C=C(C3=CC=CC=C23)S([O-])(=O)=O)C4=C(C=CC=C4)C=C1.OC5=C(\N=N\C6=C(O)C=C(C7=CC=CC=C67)S([O-])(=O)=O)C8=C(C=CC=C8)C=C5

InChI

InChIKey=LZUCKTGEMRCUTH-JTVZJQPRSA-L
InChI=1S/2C20H14N2O5S.Zn/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h2*1-11,23-24H,(H,25,26,27);/q;;+2/p-2/b2*22-21+;

HIDE SMILES / InChI

Molecular Formula C20H13N2O5S
Molecular Weight 393.393
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:48:00 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:00 GMT 2025
Record UNII
8UPM4CL7SD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, zinc salt (2:1)
Common Name English
NSC-4203
Preferred Name English
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, zinc salt (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
8UPM4CL7SD
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID7063849
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
NSC
4203
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-486-6
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
PUBCHEM
79426
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
CAS
5410-93-5
Created by admin on Tue Apr 01 17:48:00 GMT 2025 , Edited by admin on Tue Apr 01 17:48:00 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE