| SpectraBase Spectrum ID |
BKyJg4o8S8J |
| Name |
(2-{[2-(Dimethylammonio)ethyl]sulfanyl}ethyl)(dimethyl)ammonium bis(2-hydroxybenzoate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.198107926 u |
| Formula |
C22H32N2O6S |
| InChI |
InChI=1S/C8H20N2S.2C7H6O3/c1-9(2)5-7-11-8-6-10(3)4;2*8-6-4-2-1-3-5(6)7(9)10/h5-8H2,1-4H3;2*1-4,8H,(H,9,10) |
| InChIKey |
PLDMGKLOGZPSHN-UHFFFAOYSA-N |
| Molecular Weight |
452.566 g/mol |
| SMILES |
C(SCC[NH+](C)C)C[NH+](C)C.OC1=C(C=CC=C1)C([O-])=O.OC=1C(=CC=CC1)C([O-])=O |
![(2-{[2-(Dimethylammonio)ethyl]sulfanyl}ethyl)(dimethyl)ammonium bis(2-hydroxybenzoate)](/api/spectrum/BKyJg4o8S8J/structure.png?h=300&w=458 "(2-{[2-(Dimethylammonio)ethyl]sulfanyl}ethyl)(dimethyl)ammonium bis(2-hydroxybenzoate)")
