| SpectraBase Spectrum ID |
5TILBanv8M |
| Name |
9,10-Ethanoanthracene-11-carboxylic acid, 9,10-dihydro-9,10-bis(methylthio)-, ethyl ester |
| Alternate Name(s) |
Ethyl 1,8-bis(methylsulfanyl)tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate |
| CAS Registry Number |
113160-88-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O2S2 |
| InChI |
InChI=1S/C21H22O2S2/c1-4-23-19(22)18-13-20(24-2)14-9-5-7-11-16(14)21(18,25-3)17-12-8-6-10-15(17)20/h5-12,18H,4,13H2,1-3H3/t18?,20-,21+ |
| InChIKey |
UNCVPJUEVKKXCY-VCSGRIEYSA-N |
| Molecular Weight |
370.525 g/mol |
| SMILES |
[C@]12(C(C[C@@](c3c2cccc3)(SC)c2c1cccc2)C(=O)OCC)SC |
| SPLASH |
splash10-00di-0090000000-d6887db3613b75dd6241 |
| Source of Spectrum |
J-54-1029-2 |
| Wiley ID |
1354292 |
