| SpectraBase Spectrum ID |
7wfwb4BzkPE |
| Name |
Acetic acid, 2-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, butyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24N4O4S2 |
| InChI |
InChI=1S/C21H24N4O4S2/c1-4-5-11-29-16(26)12-30-19-17(27)13(2)14(3)18(28)20(19)31-21-22-23-24-25(21)15-9-7-6-8-10-15/h6-10,27-28H,4-5,11-12H2,1-3H3 |
| InChIKey |
KVILFSYMGMXERC-UHFFFAOYSA-N |
| Molecular Weight |
460.567 g/mol |
| SMILES |
Oc1c(c(c(c(c1SCC(OCCCC)=O)Sc1nnn[n]1-c1ccccc1)O)C)C |
| SPLASH |
splash10-03di-5490200000-d58ec40c473221b80703 |
| Source of Spectrum |
JX-2015-4-706 |
| Synonyms |
Butyl 2-((2,5-dihydroxy-3,4-dimethyl-6-((1-phenyl-1H-tetrazol-5-yl)thio)phenyl)thio)acetate
Butyl ({2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}sulfanyl)acetate |
| Wiley ID |
1726126 |
![Acetic acid, 2-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, butyl ester](/api/spectrum/7wfwb4BzkPE/structure.png?h=300&w=458 "Acetic acid, 2-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, butyl ester")
