| SpectraBase Spectrum ID |
JFegM7u65U |
| Name |
5,20-bis(4'-Methoxyphenylsulfonyl)-5,12,13,20-tetraaza[5.2.5.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-12-ene |
| Alternate Name(s) |
(18E)-12,25-bis[(4-methoxybenzene)sulfonyl]-12,18,19,25-tetraazapentacyclo[28.3.1.1(3,7).1(13,17).1(20,24)]heptatriaconta-1(34),3,5,7(37),13,15,17(36),18,20(35),21,23,30,32-tridecaene |
| CAS Registry Number |
140661-55-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H48N4O6S2 |
| InChI |
InChI=1S/C47H48N4O6S2/c1-56-44-21-25-46(26-22-44)58(52,53)50-29-5-3-11-36-13-7-15-38(31-36)33-39-16-8-14-37(32-39)12-4-6-30-51(59(54,55)47-27-23-45(57-2)24-28-47)43-20-10-18-41(35-43)49-48-40-17-9-19-42(50)34-40/h7-10,13-28,31-32,34-35H,3-6,11-12,29-30,33H2,1-2H3/b49-48+ |
| InChIKey |
MEXKBZAXNOPZJK-DSIMXMMZSA-N |
| Molecular Weight |
829.043 g/mol |
| SMILES |
c12N(S(c3ccc(cc3)OC)(=O)=O)CCCCc3cc(Cc4cc(CCCCN(c5cc(\N=N\c(c1)ccc2)ccc5)S(c1ccc(cc1)OC)(=O)=O)ccc4)ccc3 |
| SPLASH |
splash10-0a4i-0000009020-8e0ea354ca493a561eae |
| Source of Spectrum |
K-125-1681-8 |
| Wiley ID |
1417510 |
![5,20-bis(4'-Methoxyphenylsulfonyl)-5,12,13,20-tetraaza[5.2.5.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-12-ene](/api/spectrum/JFegM7u65U/structure.png?h=300&w=458 "5,20-bis(4'-Methoxyphenylsulfonyl)-5,12,13,20-tetraaza[5.2.5.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-12-ene")
