basic_info |
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| Product_Name: | 5-IODO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530148-49-3 |
| EnglishSynonyms: | BENZOIC ACID, 5-IODO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03564857 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C18H17IN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-15-7-6-12(19)9-14(15)17(23)24/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26) |
| InChiKey: | InChIKey=IWVUKQKSVLMHMS-UHFFFAOYSA-N |
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