| SpectraBase Spectrum ID |
2fKS3lYBnum |
| Name |
Propanoic acid, 3-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, 6-methylheptyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34N4O4S2 |
| InChI |
InChI=1S/C26H34N4O4S2/c1-17(2)11-7-6-10-15-34-21(31)14-16-35-24-22(32)18(3)19(4)23(33)25(24)36-26-27-28-29-30(26)20-12-8-5-9-13-20/h5,8-9,12-13,17,32-33H,6-7,10-11,14-16H2,1-4H3 |
| InChIKey |
NHJWQQQNAFNTNG-UHFFFAOYSA-N |
| Molecular Weight |
530.702 g/mol |
| SMILES |
Oc1c(c(c(c(c1SCCC(OCCCCCC(C)C)=O)Sc1nnn[n]1-c1ccccc1)O)C)C |
| SPLASH |
splash10-08gl-9471020000-74722b76b44de0df032c |
| Source of Spectrum |
JX-2015-4-1082 |
| Synonyms |
6-Methylheptyl 3-((2,5-dihydroxy-3,4-dimethyl-6-((1-phenyl-1H-tetrazol-5-yl)thio)phenyl)thio)propanoate
6-Methylheptyl 3-({2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}sulfanyl)propanoate |
| Wiley ID |
1726481 |
![Propanoic acid, 3-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, 6-methylheptyl ester](/api/spectrum/2fKS3lYBnum/structure.png?h=300&w=458 "Propanoic acid, 3-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, 6-methylheptyl ester")
