basic_info |
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| Product_Name: | 5-IODO-2-[[[(2-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535938-13-7 |
| EnglishSynonyms: | 5-IODO-2-[[[(2-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-IODO-2-[[[(2-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03571358 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | Cc1c(cccc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C16H12IN3O5S/c1-8-10(3-2-4-13(8)20(24)25)14(21)19-16(26)18-12-6-5-9(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26) |
| InChiKey: | InChIKey=JTYVSZVHKJPBSY-UHFFFAOYSA-N |
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