basic_info |
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| Product_Name: | 2-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID |
| CAS: | 532953-29-0 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO- ; 2-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574197 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(c(cc1[N+](=O)[O-])Cl)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C15H8ClI2N3O5S/c16-10-5-7(21(25)26)1-2-8(10)13(22)20-15(27)19-12-9(14(23)24)3-6(17)4-11(12)18/h1-5H,(H,23,24)(H2,19,20,22,27) |
| InChiKey: | InChIKey=QESRLZWXLMOTNR-UHFFFAOYSA-N |
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