basic_info |
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| Product_Name: | 5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535978-71-3 |
| EnglishSynonyms: | BENZOIC ACID, 5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03573174 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C16H13IN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-13-6-5-10(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24) |
| InChiKey: | InChIKey=JUGKJUPLHKOEIC-UHFFFAOYSA-N |
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