| SpectraBase Spectrum ID |
DXPgX7C9DVd |
| Name |
3,5-Dinitrobenzoic acid[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
474.543 g/mol |
| SMILES |
OCCCCC1(CCC(O)COC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)SCCCS1 |
| SPLASH |
splash10-06xx-9710000000-21f3ed4b431f0f74b11d |
| Source of Spectrum |
CM-1999-19808-0 |
| Synonyms |
3,5-Dinitro-benzoic acid, 2-hydroxy-4-[2-(4-hydroxybutyl)[1,3]dithian-2-yl]butyl ester
[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]3,5-dinitrobenzoate
[2-oxidanyl-4-[2-(4-oxidanylbutyl)-1,3-dithian-2-yl]butyl]3,5-dinitrobenzoate
2-Hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl 3,5-dinitrobenzoate
[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate
[2-oxidanyl-4-[2-(4-oxidanylbutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate |
| Wiley ID |
482162 |
![3,5-Dinitrobenzoic acid[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]ester](/api/spectrum/DXPgX7C9DVd/structure.png?h=300&w=458 "3,5-Dinitrobenzoic acid[2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl]ester")
