| SpectraBase Spectrum ID |
8QN200KaLma |
| Name |
Dodecylbenzenesulfonic acid, calcium salt (2:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
690.330072830 u |
| Formula |
C36H58CaO6S2 |
| InChI |
InChI=1S/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h2*13-16H,2-12H2,1H3,(H,19,20,21);/q;;+2/p-2 |
| InChIKey |
IQAXZJZTCMIPCX-UHFFFAOYSA-L |
| Molecular Weight |
691.052 g/mol |
| SMILES |
C=1(S(=O)(=O)O[Ca]OS(C=2C=CC(=CC2)CCCCCCCCCCCC)(=O)=O)C=CC(=CC1)CCCCCCCCCCCC |
