| SpectraBase Spectrum ID |
I8qhDE08Wpd |
| Name |
N,N'-(dimethylmalonyl)-4,6-dimethyl-2,9-dithia-17,18-diaza-[2.2.2[(1,3)(1,3)(1,3)cyclophane |
| CAS Registry Number |
125686-40-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26N2O2S2 |
| InChI |
InChI=1S/C27H26N2O2S2/c1-17-11-18(2)24-14-23(17)32-15-19-7-5-9-21(12-19)28-25(30)27(3,4)26(31)29(28)22-10-6-8-20(13-22)16-33-24/h5-14H,15-16H2,1-4H3 |
| InChIKey |
ISSNQPLIGGUSCM-UHFFFAOYSA-N |
| Molecular Weight |
474.637 g/mol |
| SMILES |
C1(N2N(C(C1(C)C)=O)c1cc(CSc3c(cc(c(SCc4cc2ccc4)c3)C)C)ccc1)=O |
| SPLASH |
splash10-00di-2400900000-9a0f454b6176bf1f26a5 |
| Source of Spectrum |
K-123-1401-11 |
| Synonyms |
4,4,15,17-tetramethyl-13,19-dithia-2,6-diazapentacyclo[19.3.1.1(7,11).1(14,18).0(2,6)]heptacosa-1(25),7(27),8,10,14(26),15,17,21,23-nonaene-3,5-dione |
| Wiley ID |
1393895 |
