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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H13N4O11S3.3Na
Molecular Weight 698.545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Trisodium 2-[4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl]-2-H-naphtho[1,2-d]triazole-5-sulfonate

SMILES

[Na+].[Na+].[Na+].[O-][N+](=O)C1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N3N=C4C=C(C5=C(C=CC=C5)C4=N3)S([O-])(=O)=O)C(=C1)S([O-])(=O)=O

InChI

InChIKey=SMGMFTGDFISQCE-FWMLTEASSA-K
InChI=1S/C24H16N4O11S3.3Na/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27;;;/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b6-5+;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
Trisodium 2-[4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl]-2-H-naphtho[1,2-d]triazole-5-sulfonate
Systematic Name English
2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, sodium salt (1:3)
Preferred Name English
2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, trisodium salt
Common Name English
Code System Code Type Description
PUBCHEM
172397
Created by admin on Wed Apr 02 17:17:16 GMT 2025 , Edited by admin on Wed Apr 02 17:17:16 GMT 2025
PRIMARY
FDA UNII
SAD3NFA7GH
Created by admin on Wed Apr 02 17:17:16 GMT 2025 , Edited by admin on Wed Apr 02 17:17:16 GMT 2025
PRIMARY
CAS
69178-37-6
Created by admin on Wed Apr 02 17:17:16 GMT 2025 , Edited by admin on Wed Apr 02 17:17:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID70890031
Created by admin on Wed Apr 02 17:17:16 GMT 2025 , Edited by admin on Wed Apr 02 17:17:16 GMT 2025
PRIMARY