| SpectraBase Spectrum ID |
EDyOdEIxEGQ |
| Name |
5-(1,5-Diamino-4,8-dihydroxy-2-anthraquinonyl)-2-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/c21-9-2-4-11(24)15-14(9)19(26)16-12(25)6-8(18(22)17(16)20(15)27)7-1-3-10(23)13(5-7)31(28,29)30;/h1-6,23-25H,21-22H2,(H,28,29,30);/q;+1/p-1 |
| InChIKey |
WFGBDGJHEXZRGI-UHFFFAOYSA-M |
| Molecular Weight |
464.380 g/mol |
| SMILES |
[Na+].OC1=CC(=C(C=2C(C=3C(=CC=C(C3C(C12)=O)N)O)=O)N)C=1C=CC(=C(C1)S(=O)(=O)[O-])O |
| Spectrum/Structure Validation Score (Raman) |
0.809272 |
