| SpectraBase Spectrum ID |
5LSBrsQkzgI |
| Name |
Benzoic acid, 2,4-dihydroxy-6-pentyl-, 4-carboxy-3-hydroxy-5-propylphenyl ester |
| CAS Registry Number |
67121-42-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O7 |
| InChI |
InChI=1S/C22H26O7/c1-3-5-6-8-14-9-15(23)11-17(24)20(14)22(28)29-16-10-13(7-4-2)19(21(26)27)18(25)12-16/h9-12,23-25H,3-8H2,1-2H3,(H,26,27) |
| InChIKey |
PUAFRNVYQFDWKG-UHFFFAOYSA-N |
| Molecular Weight |
402.443 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CCCCC)O)O)=O)cc(c1C(=O)O)CCC |
| SPLASH |
splash10-00fr-0900000000-0e64d23fc32172962dab |
| Source of Spectrum |
B-38-1870-5 |
| Synonyms |
4-(2',4'-Dihydroxy-6'-pentylbenzoyloxy)-2-hydroxy-6-propylbenzoic acid
4-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid |
| Wiley ID |
1370357 |
