| SpectraBase Spectrum ID |
EkQR1CmFfJa |
| Name |
1,5-Diamino-4,8-dihydroxy-2-(2-hydroxy-p-tolyl)anthraquinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.105921618 u |
| Formula |
C21H16N2O5 |
| InChI |
InChI=1S/C21H16N2O5/c1-8-2-3-9(13(25)6-8)10-7-14(26)17-18(19(10)23)21(28)16-12(24)5-4-11(22)15(16)20(17)27/h2-7,24-26H,22-23H2,1H3 |
| InChIKey |
JZCSUEKFTVOTSY-UHFFFAOYSA-N |
| SMILES |
NC1=C(C=C(C=2C(C=3C(=CC=C(C3C(C12)=O)O)N)=O)O)C=1C=CC(=CC1O)C |
