| SpectraBase Spectrum ID |
IWwk0A5UVEB |
| Name |
3-(Chloromethyl)-1,5-bis(p-methylbenzenesulfonyl)-1,5,9-triazacyclododecane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H34ClN3O4S2 |
| InChI |
InChI=1S/C24H34ClN3O4S2/c1-20-5-9-23(10-6-20)33(29,30)27-15-3-13-26-14-4-16-28(19-22(17-25)18-27)34(31,32)24-11-7-21(2)8-12-24/h5-12,22,26H,3-4,13-19H2,1-2H3 |
| InChIKey |
AYWOVRLTUAQAAY-UHFFFAOYSA-N |
| Molecular Weight |
528.126 g/mol |
| SMILES |
N1CCCN(CC(CN(CCC1)S(c1ccc(cc1)C)(=O)=O)CCl)S(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-0006-9253000000-68974108a98ab84abd1d |
| Source of Spectrum |
C-125-12209-34 |
| Synonyms |
3-(chloromethyl)-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane
3-(chloromethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane |
| Wiley ID |
1701115 |
