| SpectraBase Spectrum ID |
B1SdjtcVI1o |
| Name |
3-(5-Methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO4S3 |
| InChI |
InChI=1S/C13H17NO4S3/c1-9-14(5-4-6-21(15,16)17)10-7-11(18-2)13(19-3)8-12(10)20-9/h7-8H,4-6H2,1-3H3 |
| InChIKey |
HHYNWECVWKIJAR-UHFFFAOYSA-N |
| Molecular Weight |
347.462 g/mol |
| SMILES |
c12cc(c(cc2sc([n+]1CCCS(=O)([O-])=O)C)SC)OC |
| SPLASH |
splash10-0690-9630000000-1463318fccc77eccbe7e |
| Synonyms |
3-[5-methoxy-2-methyl-6-(methylthio)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate
3-[5-methoxy-2-methyl-6-(methylthio)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate |
| Wiley ID |
1451694 |
