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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H19NO6S2
Molecular Weight 433.498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-((PHENYLIMINO)BIS(METHYLENE))BIS(BENZENESULFONIC) ACID

SMILES

OS(=O)(=O)C1=CC=C(CN(CC2=CC=C(C=C2)S(O)(=O)=O)C3=CC=CC=C3)C=C1

InChI

InChIKey=LFAQPTTZBFNESY-UHFFFAOYSA-N
InChI=1S/C20H19NO6S2/c22-28(23,24)19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)15-17-8-12-20(13-9-17)29(25,26)27/h1-13H,14-15H2,(H,22,23,24)(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H19NO6S2
Molecular Weight 433.498
Charge 0
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 19:14:03 GMT 2025
Edited
by admin
on Tue Apr 01 19:14:03 GMT 2025
Record UNII
WIL1WK7HSW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-((PHENYLIMINO)BIS(METHYLENE))BIS(BENZENESULFONIC) ACID
Systematic Name English
BENZENESULFONIC ACID, 4,4'-((PHENYLIMINO)BIS(METHYLENE))BIS-
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
303-368-3
Created by admin on Tue Apr 01 19:14:03 GMT 2025 , Edited by admin on Tue Apr 01 19:14:03 GMT 2025
PRIMARY
PUBCHEM
56841286
Created by admin on Tue Apr 01 19:14:03 GMT 2025 , Edited by admin on Tue Apr 01 19:14:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240923
Created by admin on Tue Apr 01 19:14:03 GMT 2025 , Edited by admin on Tue Apr 01 19:14:03 GMT 2025
PRIMARY
FDA UNII
WIL1WK7HSW
Created by admin on Tue Apr 01 19:14:03 GMT 2025 , Edited by admin on Tue Apr 01 19:14:03 GMT 2025
PRIMARY
CAS
94166-71-9
Created by admin on Tue Apr 01 19:14:03 GMT 2025 , Edited by admin on Tue Apr 01 19:14:03 GMT 2025
PRIMARY