| SpectraBase Spectrum ID |
Bk9cqFRvpTN |
| Name |
3,5-DINITROBENZOIC ACID, 2-HYDROXY-4-[2-(4-HYDROXYBUTYL)-[1,3]DITHIAN-2-YL]BUTYL ESTER |
| Copyright |
Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H26N2O8S2 |
| InChI |
InChI=1S/C19H26N2O8S2/c22-7-2-1-5-19(30-8-3-9-31-19)6-4-17(23)13-29-18(24)14-10-15(20(25)26)12-16(11-14)21(27)28/h10-12,17,22-23H,1-9,13H2 |
| InChIKey |
QHMITQMOEGNWAH-UHFFFAOYSA-N |
| Molecular Weight |
474.1124 |
| SMILES |
OC(CCC1(CCCCO)SCCCS1)COC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O |
| SPLASH |
splash10-06xx-9710000000-27d4dfcd895fa70087c8 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
![3,5-Dinitrobenzoic acid[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]ester](/api/spectrum/Bk9cqFRvpTN/structure.png?h=300&w=458 "3,5-Dinitrobenzoic acid[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]ester")
