basic_info |
|
| Product_Name: | DIBENZOTHIOLINE |
| CAS: | 59316-76-6 |
| EnglishSynonyms: | DIBENZOTHIOLINE |
| pro_mdlNumber: | MFCD09837990 |
| pro_acceptors: | 11 |
| pro_donors: | 2 |
| pro_smile: | CC(C(=O)NCC(=O)OCc1cccc(n1)COC(=O)CNC(=O)C(C)SC(=O)c2ccccc2)SC(=O)c3ccccc3 |
| InChi: | InChI=1S/C31H31N3O8S2/c1-20(43-30(39)22-10-5-3-6-11-22)28(37)32-16-26(35)41-18-24-14-9-15-25(34-24)19-42-27(36)17-33-29(38)21(2)44-31(40)23-12-7-4-8-13-23/h3-15,20-21H,16-19H2,1-2H3,(H,32,37)(H,33,38) |
| InChiKey: | InChIKey=ZMRSCEGEIMGQPR-UHFFFAOYSA-N |
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