basic_info |
|
| Product_Name： | XANTHIOL |
| CAS： | 17162-32-2 |
| EnglishSynonyms： | XANTHIOL |
| pro_mdlNumber： | MFCD01702190 |
| pro_acceptors： | 3 |
| pro_donors： | 1 |
| pro_smile： | c1ccc2c(c1)C(c3cc(ccc3S2)Cl)CCCN4CCN(CC4)CCCO.Cl.Cl |
| InChi： | InChI=1S/C23H29ClN2OS.2ClH/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27;;/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2;2*1H |
| InChiKey： | InChIKey=WCSMSWYAHBNGDC-UHFFFAOYSA-N |
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