basic_info |
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Product_Name: | 1,8-DINITRO-BENZO(E)PYRENE |
CAS: | 120812-49-9 |
EnglishSynonyms: | 1,8-DINITRO-BENZO(E)PYRENE ; BENZO[E]PYRENE, 1,8-DINITRO- |
pro_mdlNumber: | MFCD02751801 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | c1ccc2c(c1)c3c(ccc4c3c5c2c(ccc5cc4)[N+](=O)[O-])[N+](=O)[O-] |
InChi: | InChI=1S/C20H10N2O4/c23-21(24)15-9-7-11-5-6-12-8-10-16(22(25)26)20-14-4-2-1-3-13(14)19(15)17(11)18(12)20/h1-10H |
InChiKey: | InChIKey=VYHYUQJBLGBWIS-UHFFFAOYSA-N |
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