basic_info |
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| Product_Name: | 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 533919-29-8 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03568896 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C16H11I2N3O6S/c1-27-12-3-2-7(4-11(12)21(25)26)14(22)20-16(28)19-13-9(15(23)24)5-8(17)6-10(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,28) |
| InChiKey: | InChIKey=KBSOGCRSLHHXBY-UHFFFAOYSA-N |
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