basic_info |
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| Product_Name: | 2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| CAS: | 531515-20-5 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565460 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | Cc1cc(ccc1Cl)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C17H14ClIN2O4S/c1-9-6-11(3-4-13(9)18)25-8-15(22)21-17(26)20-14-5-2-10(19)7-12(14)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26) |
| InChiKey: | InChIKey=AWHAWVKZURHICL-UHFFFAOYSA-N |
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