| SpectraBase Spectrum ID |
5A9QPpsN9wB |
| Name |
Thieno[2,3-D:5,4-D']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3A.alpha.,4A.beta.,5.beta.,7A.beta.,7B.alph A.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.130028366 u |
| Formula |
C20H22N2O4S |
| InChI |
InChI=1S/C20H22N2O4S/c1-21-15(13-9-5-3-6-10-13)19-17(25-21)18-20(27(19,23)24)16(22(2)26-18)14-11-7-4-8-12-14/h3-12,15-20H,1-2H3/t15-,16-,17+,18+,19+,20+/m1/s1 |
| InChIKey |
PAEYFOVOGRSGJK-MILMJNAHSA-N |
| Molecular Weight |
386.466 g/mol |
| SMILES |
[C@@]12(S([C@@]3([C@]([C@@]2(ON([C@@]1(C1=CC=CC=C1)[H])C)[H])(ON([C@@]3(C=1C=CC=CC1)[H])C)[H])[H])(=O)=O)[H] |
![Thieno[2,3-d:5,4-d']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3a.alpha.,4a.beta.,5.beta.,7a.beta.,7b.alph a.)-](/api/spectrum/5A9QPpsN9wB/structure.png?h=300&w=458 "Thieno[2,3-d:5,4-d']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3a.alpha.,4a.beta.,5.beta.,7a.beta.,7b.alph a.)-")
