LAURYL ISOQUINOLINIUM SACCHARINATE
1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium
| Molecular Formula | C28H36N2O3S |
|---|---|
| Molecular Weight | 480.7 g/mol |
| Topological Polar Surface Area | 81.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 480.24466 |
| Heavy Atoms | 34 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7444-81-7 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-] |
| InChIKey | AVZICXRYXLCFCK-UHFFFAOYSA-M |
📖 Product Overview
LAURYL ISOQUINOLINIUM SACCHARINATE (CAS: 7444-81-7) is a chemical compound with molecular formula C28H36N2O3S and molecular weight 480.7 g/mol. Its IUPAC systematic name is 1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium.
AVZICXRYXLCFCK-UHFFFAOYSA-M.
SMILES: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].
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