| SpectraBase Spectrum ID |
EiDJdIS5psz |
| Name |
2-Anthraceneacetic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(3-oxobutyl)-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.105252913 u |
| Formula |
C21H18O7 |
| InChI |
InChI=1S/C21H18O7/c1-10(22)7-8-13-14(9-15(23)28-2)21(27)17-16(20(13)26)18(24)11-5-3-4-6-12(11)19(17)25/h3-6,26-27H,7-9H2,1-2H3 |
| InChIKey |
YEZMMCMIDSWRNR-UHFFFAOYSA-N |
| Molecular Weight |
382.368 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C(=C(C1O)CC(=O)OC)CCC(=O)C |
