| SpectraBase Spectrum ID |
KkysxnDUmO4 |
| Name |
1,3-Benzenedicarboxylic acid, 2,4-dimethoxy-6-methyl-, 1-(4-carboxy-3-hydroxy-2,5-dimethylphenyl) ester |
| CAS Registry Number |
111625-66-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O9 |
| InChI |
InChI=1S/C20H20O9/c1-8-6-11(10(3)16(21)13(8)18(22)23)29-20(26)14-9(2)7-12(27-4)15(19(24)25)17(14)28-5/h6-7,21H,1-5H3,(H,22,23)(H,24,25) |
| InChIKey |
ZATZIVUNUMYVES-UHFFFAOYSA-N |
| Molecular Weight |
404.371 g/mol |
| SMILES |
Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(C(=O)O)c(cc1C)OC)OC)=O)C |
| SPLASH |
splash10-00di-0290000000-0887490e62c4d55e20a5 |
| Source of Spectrum |
B-42-1197-2 |
| Synonyms |
2-O-methylsquamatic acid
3-[(4-carboxy-3-hydroxy-2,5-dimethylphenoxy)carbonyl]-2,6-dimethoxy-4-methylbenzoic acid
4-(3-Hydroxycarbonyl-2,4-dimethoxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid |
| Wiley ID |
1371152 |
