basic_info |
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| Product_Name: | 1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTER |
| CAS: | 706792-33-8 |
| EnglishSynonyms: | 1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTER |
| pro_mdlNumber: | MFCD15832937 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | [N+](=O)([O-])C=1C=C(C=C(C1)C(=O)OC(C)(C)C)C(=O)OC |
| InChi: | InChI=1S/C13H15NO6/c1-13(2,3)20-12(16)9-5-8(11(15)19-4)6-10(7-9)14(17)18/h5-7H,1-4H3 |
| InChiKey: | InChIKey=BKGNOTVCTCCSCV-UHFFFAOYSA-N |
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