basic_info |
|
| Product_Name： | PHENITHIONATE |
| CAS： | 83538-74-3 |
| EnglishSynonyms： | PHENITHIONATE |
| pro_mdlNumber： | MFCD09838079 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | c1ccc(cc1)OC(=S)Nc2ccc(cc2)Nc3ccc(cc3)[N+](=O)[O-] |
| InChi： | InChI=1S/C19H15N3O3S/c23-22(24)17-12-10-15(11-13-17)20-14-6-8-16(9-7-14)21-19(26)25-18-4-2-1-3-5-18/h1-13,20H,(H,21,26) |
| InChiKey： | InChIKey=APHVAXJCHYGZAZ-UHFFFAOYSA-N |
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