| SpectraBase Spectrum ID |
DISbGWOanXD |
| Name |
Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester |
| Alternate Name(s) |
3-Chloroperlatolic acid
4-(3'-Chloro-2'-hydroxy-4'-methoxy-6'-pentylbenzoyloxy)-2-hydroxy-6-pentylbenzoic acid
4-[(3-chloro-2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid |
| CAS Registry Number |
120091-97-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31ClO7 |
| InChI |
InChI=1S/C25H31ClO7/c1-4-6-8-10-15-12-17(14-18(27)20(15)24(29)30)33-25(31)21-16(11-9-7-5-2)13-19(32-3)22(26)23(21)28/h12-14,27-28H,4-11H2,1-3H3,(H,29,30) |
| InChIKey |
DIPTUDOXJCULJT-UHFFFAOYSA-N |
| Molecular Weight |
478.969 g/mol |
| SMILES |
Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(c(Cl)c(cc1CCCCC)OC)O)=O |
| SPLASH |
splash10-0udi-0090000000-0b532f00fff3c8258d46 |
| Source of Spectrum |
B-41-1795-3 |
| Wiley ID |
1394712 |
