| SpectraBase Spectrum ID |
ESqa4KlWDMz |
| Name |
2-(1,5-Diamino-4,8-dihydroxy-2-anthraquinonyl)-5-hydroxybenzenesulfonic acid, monosodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.029030833 u |
| Formula |
C20H13N2NaO8S |
| InChI |
InChI=1S/C20H14N2O8S.Na/c21-10-3-4-11(24)15-14(10)19(26)16-12(25)6-9(18(22)17(16)20(15)27)8-2-1-7(23)5-13(8)31(28,29)30;/h1-6,23-25H,21-22H2,(H,28,29,30);/q;+1/p-1 |
| InChIKey |
TUDHSGYNGHPPRZ-UHFFFAOYSA-M |
| Molecular Weight |
464.380 g/mol |
| SMILES |
[Na+].OC1=CC=C(C=2C(C=3C(=CC(=C(C3C(C12)=O)N)C=1C=CC(=CC1S(=O)(=O)[O-])O)O)=O)N |
| Spectrum/Structure Validation Score (Raman) |
0.744099 |
