| SpectraBase Spectrum ID |
BQBnIcvJFqh |
| Name |
8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane-1,1-dioxide |
| Alternate Name(s) |
10-[(4-methylphenyl)sulfonyl]-16-nitro-2-thia-10-azatricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene 2,2-dioxide |
| CAS Registry Number |
133753-67-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18N2O6S2 |
| InChI |
InChI=1S/C21H18N2O6S2/c1-15-8-10-19(11-9-15)31(28,29)22-13-16-4-2-5-17(21(16)23(24)25)14-30(26,27)20-7-3-6-18(22)12-20/h2-12H,13-14H2,1H3 |
| InChIKey |
BXJMMQZIYDKAEC-UHFFFAOYSA-N |
| Molecular Weight |
458.503 g/mol |
| SMILES |
C1N(S(c2ccc(cc2)C)(=O)=O)c2cc(S(Cc3c(c1ccc3)N(=O)=O)(=O)=O)ccc2 |
| SPLASH |
splash10-03di-0000900000-e811cb4e22ee4ab3828e |
| Source of Spectrum |
K-124-1590-4 |
| Wiley ID |
1389776 |
![8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane-1,1-dioxide](/api/spectrum/BQBnIcvJFqh/structure.png?h=300&w=458 "8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane-1,1-dioxide")
