| SpectraBase Spectrum ID |
IpO6BqdcJfB |
| Name |
2,2'-(1,7-Dithia-4-oxohept-1,7-diyl)dibenzodicarboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O5S2 |
| InChI |
InChI=1S/C18H18O5S2/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22) |
| InChIKey |
XIGGVOLZYWWFBB-UHFFFAOYSA-N |
| Molecular Weight |
378.457 g/mol |
| SMILES |
OC(c1c(SCCOCCSc2c(C(=O)O)cccc2)cccc1)=O |
| SPLASH |
splash10-0udi-0900000000-d13ab5270e6c65b449da |
| Source of Spectrum |
C5-2004-603-3 |
| Wiley ID |
1616653 |
