| SpectraBase Spectrum ID |
B2SfU3fh2LA |
| Name |
Propanoic acid, 3-[[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 |
C22H26N4O4S2 |
| InChI |
InChI=1S/C22H26N4O4S2/c1-4-5-12-30-17(27)11-13-31-20-18(28)14(2)15(3)19(29)21(20)32-22-23-24-25-26(22)16-9-7-6-8-10-16/h6-10,28-29H,4-5,11-13H2,1-3H3 |
| InChIKey |
RVVPBCCSYYAUEJ-UHFFFAOYSA-N |
| Molecular Weight |
474.594 g/mol |
| SMILES |
Oc1c(c(c(c(c1SCCC(OCCCC)=O)Sc1nnn[n]1-c1ccccc1)O)C)C |
| SPLASH |
splash10-08fr-8590300000-3ee62eca59d6cdb46d0c |
| Source of Spectrum |
JX-2015-4-796 |
| Synonyms |
Butyl 3-((2,5-dihydroxy-3,4-dimethyl-6-((1-phenyl-1H-tetrazol-5-yl)thio)phenyl)thio)propanoate
Butyl 3-({2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}sulfanyl)propanoate |
| Wiley ID |
1726214 |
![Propanoic acid, 3-[[2,5-dihydroxy-3,4-dimethyl-6-[(1-phenyl-1H-tetrazol-5-yl)thio]phenyl]thio]-, butyl ester](/api/spectrum/B2SfU3fh2LA/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]-, butyl ester")
