| SpectraBase Spectrum ID |
CyWiVlaR3D5 |
| Name |
2-[3-(1,3-dioxopentyl)-4,5-dihydroxy-9,10-dioxo-2-anthracenyl]acetic acid |
| Alternate Name(s) |
2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-(3-oxidanylidenepentanoyl)anthracen-2-yl]ethanoic acid
2-[4,5-dihydroxy-9,10-diketo-3-(3-ketopentanoyl)-2-anthryl]acetic acid
2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-2-anthryl]acetic acid
2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)anthracen-2-yl]acetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16O8 |
| InChI |
InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26) |
| InChIKey |
OSKHFTHBEFJNCM-UHFFFAOYSA-N |
| Molecular Weight |
396.351 g/mol |
| SMILES |
Oc1c2C(c3c(c(c(CC(=O)O)cc3C(c2ccc1)=O)C(CC(=O)CC)=O)O)=O |
| SPLASH |
splash10-004i-0009000000-c100a3d817555ae8e77c |
| Source of Spectrum |
U-1996-277-1 |
| Wiley ID |
768218 |
![2-[3-(1,3-dioxopentyl)-4,5-dihydroxy-9,10-dioxo-2-anthracenyl]acetic acid](/api/spectrum/CyWiVlaR3D5/structure.png?h=300&w=458 "2-[3-(1,3-dioxopentyl)-4,5-dihydroxy-9,10-dioxo-2-anthracenyl]acetic acid")
