basic_info |
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| Product_Name： | BENZO(A)PYRENE-6-CARBOXALDEHYDE THIOSEMICARBAZONE |
| CAS： | 64048-70-0 |
| EnglishSynonyms： | BENZO(A)PYRENE-6-CARBOXALDEHYDE THIOSEMICARBAZONE |
| pro_mdlNumber： | MFCD01662879 |
| pro_acceptors： | 3 |
| pro_donors： | 2 |
| pro_smile： | c1ccc2c(c1)c3ccc4cccc5c4c3c(c2/C=N/NC(=S)N)cc5 |
| InChi： | InChI=1S/C22H15N3S/c23-22(26)25-24-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H,(H3,23,25,26)/b24-12+ |
| InChiKey： | InChIKey=OKSSYPATHGMPPK-WYMPLXKRSA-N |
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