| SpectraBase Spectrum ID |
KhvVJrqnV2Q |
| Name |
2,7-(Methanothiomethano[1,3]benzeno[1,3]benzenomethanothiomethano)naphthalene |
| Alternate Name(s) |
2,13-Dithia[3,3](3,3')biphenyl(2,7)naphthalenophane
3,16-dithiapentacyclo[16.5.3.1(5,9).1(10,14).0(21,25)]octacosa-1(24),5(28),6,8,10(27),11,13,18,20,22,25-undecaene |
| CAS Registry Number |
56594-57-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H22S2 |
| InChI |
InChI=1S/C26H22S2/c1-3-19-11-24(5-1)25-6-2-4-20(12-25)16-28-18-22-8-10-23-9-7-21(17-27-15-19)13-26(23)14-22/h1-14H,15-18H2 |
| InChIKey |
CHMZNTYLKZFWDX-UHFFFAOYSA-N |
| Molecular Weight |
398.582 g/mol |
| SMILES |
c12cc3CSCc4cc(-c5cc(CSCc(c2)ccc1cc3)ccc5)ccc4 |
| SPLASH |
splash10-0a4j-0905000000-548db2faef59f1e05069 |
| Source of Spectrum |
B-29-176-0 |
| Wiley ID |
1368635 |
![2,7-(Methanothiomethano[1,3]benzeno[1,3]benzenomethanothiomethano)naphthalene](/api/spectrum/KhvVJrqnV2Q/structure.png?h=300&w=458 "2,7-(Methanothiomethano[1,3]benzeno[1,3]benzenomethanothiomethano)naphthalene")
