SpectraBase Spectrum ID |
7s9V29yeLey |
Name |
Benzene, 1,1'-[(1-butyltridecylidene)bis(thio)]bis- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
456.288443765 u |
Formula |
C29H44S2 |
InChI |
InChI=1S/C29H44S2/c1-3-5-7-8-9-10-11-12-13-20-26-29(25-6-4-2,30-27-21-16-14-17-22-27)31-28-23-18-15-19-24-28/h14-19,21-24H,3-13,20,25-26H2,1-2H3 |
InChIKey |
WSBOSCLBPQDLLA-UHFFFAOYSA-N |
Molecular Weight |
456.791 g/mol |
SMILES |
C(SC=1C=CC=CC1)(SC=1C=CC=CC1)(CCCC)CCCCCCCCCCCC |