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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H17N3O6S2
Molecular Weight 507.538
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(2H-6-SULFONAPHTHO(1,2-D)TRIAZOL-2-YL)STILBENE-2-SULFONIC ACID

SMILES

OS(=O)(=O)C1=CC=C2C3=NN(N=C3C=CC2=C1)C4=CC(=CC=C4\C=C\C5=CC=CC=C5)S(O)(=O)=O

InChI

InChIKey=YQFDOKPYHNBWES-VOTSOKGWSA-N
InChI=1S/C24H17N3O6S2/c28-34(29,30)19-11-12-21-18(14-19)9-13-22-24(21)26-27(25-22)23-15-20(35(31,32)33)10-8-17(23)7-6-16-4-2-1-3-5-16/h1-15H,(H,28,29,30)(H,31,32,33)/b7-6+

HIDE SMILES / InChI

Molecular Formula C24H17N3O6S2
Molecular Weight 507.538
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 15:05:26 GMT 2023
Edited
by admin
on Sat Dec 16 15:05:26 GMT 2023
Record UNII
GI8ULF6B4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2H-6-SULFONAPHTHO(1,2-D)TRIAZOL-2-YL)STILBENE-2-SULFONIC ACID
Systematic Name English
2H-NAPHTHO(1,2-D)TRIAZOLE-7-SULFONIC ACID, 2-(4-(2-PHENYLETHENYL)-3-SULFOPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6436332
Created by admin on Sat Dec 16 15:05:26 GMT 2023 , Edited by admin on Sat Dec 16 15:05:26 GMT 2023
PRIMARY
CAS
63389-63-9
Created by admin on Sat Dec 16 15:05:26 GMT 2023 , Edited by admin on Sat Dec 16 15:05:26 GMT 2023
PRIMARY
FDA UNII
GI8ULF6B4L
Created by admin on Sat Dec 16 15:05:26 GMT 2023 , Edited by admin on Sat Dec 16 15:05:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT