| SpectraBase Spectrum ID |
AYfCNMSAzeI |
| Name |
(2-Sulfoethyl)trimethylammonium methyl sulfate, phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.075944361 u |
| Formula |
C12H21NO7S2 |
| InChI |
InChI=1S/C11H18NO3S.CH4O4S/c1-12(2,3)9-10-16(13,14)15-11-7-5-4-6-8-11;1-5-6(2,3)4/h4-8H,9-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChIKey |
SGKVRNQHRQYNGH-UHFFFAOYSA-M |
| Molecular Weight |
355.420 g/mol |
| SMILES |
COS(=O)(=O)[O-].C(S(=O)(=O)OC=1C=CC=CC1)C[N+](C)(C)C |
