SpectraBase Spectrum ID |
6bvp3xM7YKd |
Name |
13,14-glutaryl-2,5-dithia-13,14-diaza[6.2]paracyclophane |
CAS Registry Number |
121014-18-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H22N2O2S2 |
InChI |
InChI=1S/C21H22N2O2S2/c24-20-2-1-3-21(25)23-19-10-6-17(7-11-19)15-27-13-12-26-14-16-4-8-18(9-5-16)22(20)23/h4-11H,1-3,12-15H2 |
InChIKey |
JIUFSOWHIMIJBH-UHFFFAOYSA-N |
Molecular Weight |
398.539 g/mol |
SMILES |
C1(N2N(C(CCC1)=O)c1ccc(CSCCSCc3ccc2cc3)cc1)=O |
SPLASH |
splash10-0k92-0936000000-be5501e8d87b83591b99 |
Source of Spectrum |
K-122-1508-15 |
Synonyms |
14,17-dithia-2,8-diazatetracyclo[17.2.2.2(9,12).0(2,8)]pentacosa-1(21),9,11,19,22,24-hexaene-3,7-dione |
Wiley ID |
1368351 |