basic_info |
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| Product_Name: | 5-IODO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531515-30-7 |
| EnglishSynonyms: | BENZOIC ACID, 5-IODO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565469 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1cc2ccccc2cc1C(=O)NC(=S)Nc3ccc(cc3C(=O)O)I |
| InChi: | InChI=1S/C20H15IN2O4S/c1-27-17-9-12-5-3-2-4-11(12)8-15(17)18(24)23-20(28)22-16-7-6-13(21)10-14(16)19(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=FTHCTPQEDNIKFL-UHFFFAOYSA-N |
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