| SpectraBase Spectrum ID |
EAqQuNBuVRr |
| Name |
Benzoic acid, 2,4-dihydroxy-6-(2-oxopentyl)-, 4-carboxy-3-hydroxy-5-(2-oxopentyl)phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.157682408 u |
| Formula |
C24H26O9 |
| InChI |
InChI=1S/C24H26O9/c1-3-5-15(25)7-13-9-17(27)11-19(28)22(13)24(32)33-18-10-14(8-16(26)6-4-2)21(23(30)31)20(29)12-18/h9-12,27-29H,3-8H2,1-2H3,(H,30,31) |
| InChIKey |
XKZXRAVNBWFZRU-UHFFFAOYSA-N |
| Molecular Weight |
458.463 g/mol |
| SMILES |
C1(C(OC2=CC(O)=C(C(=C2)CC(=O)CCC)C(=O)O)=O)=C(C=C(C=C1O)O)CC(=O)CCC |
