basic_info |
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| Product_Name: | 3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531519-69-4 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565761 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C16H11I2N3O6S/c17-8-5-11(15(23)24)14(12(18)6-8)20-16(28)19-13(22)7-27-10-3-1-9(2-4-10)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28) |
| InChiKey: | InChIKey=OHDCXIMWRSPLGI-UHFFFAOYSA-N |
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