basic_info |
|
| Product_Name： | 3,6-DINITROBENZO(A)PYRENE |
| CAS： | 128714-76-1 |
| EnglishSynonyms： | 3,6-DINITROBENZO(A)PYRENE |
| pro_mdlNumber： | MFCD01662836 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | c1ccc2c(c1)c3ccc4ccc(c5c4c3c(c2[N+](=O)[O-])cc5)[N+](=O)[O-] |
| InChi： | InChI=1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H |
| InChiKey： | InChIKey=FZBOFNLBBMIJMT-UHFFFAOYSA-N |
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