| SpectraBase Spectrum ID |
IwoOqbus1cM |
| Name |
Benzene, 1,1'-[[[(4-chlorophenyl)thio]methylene]bis(sulfonyl)]bis[4-chloro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.904155517 u |
| Formula |
C19H13Cl3O4S3 |
| InChI |
InChI=1S/C19H13Cl3O4S3/c20-13-1-7-16(8-2-13)27-19(28(23,24)17-9-3-14(21)4-10-17)29(25,26)18-11-5-15(22)6-12-18/h1-12,19H |
| InChIKey |
OTSDVFWIABDGNI-UHFFFAOYSA-N |
| Molecular Weight |
507.848 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)Cl)(=O)=O)(S(C=1C=CC(=CC1)Cl)(=O)=O)SC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857727 |
![Benzene, 1,1'-[[[(4-chlorophenyl)thio]methylene]bis(sulfonyl)]bis[4-chloro-](/api/spectrum/IwoOqbus1cM/structure.png?h=300&w=458 "Benzene, 1,1'-[[[(4-chlorophenyl)thio]methylene]bis(sulfonyl)]bis[4-chloro-")
