basic_info |
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| Product_Name: | 3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530138-79-5 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03564388 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | Cc1cccc(c1)OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C17H14I2N2O4S/c1-9-3-2-4-11(5-9)25-8-14(22)20-17(26)21-15-12(16(23)24)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26) |
| InChiKey: | InChIKey=VACGKEUTCKVJRQ-UHFFFAOYSA-N |
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