| SpectraBase Spectrum ID |
1wo2PgzQZhD |
| Name |
2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,3,5,7-tetrahydroxy-4,8-dimercapto-9,10-dioxo, disodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.853748877 u |
| Formula |
C14H6Na2O12S4 |
| InChI |
InChI=1S/C14H8O12S4.2Na/c15-5-1-3(11(27)9(19)13(7(1)17)29(21,22)23)6(16)2-4(5)12(28)10(20)14(8(2)18)30(24,25)26;;/h17-20,27-28H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2 |
| InChIKey |
GRLFQXKCXQHUQP-UHFFFAOYSA-L |
| Molecular Weight |
540.410 g/mol |
| SMILES |
SC1=C(C(=C(C=2C(C=3C(=C(C(=C(C3C(C12)=O)O)S(=O)([O-])=O)O)S)=O)O)S(=O)([O-])=O)O.[Na+].[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.829316 |
