basic_info |
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| Product_Name: | 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID |
| CAS: | 532953-52-9 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO- ; 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574219 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C21H22I2N2O4S/c1-2-3-4-5-10-29-15-8-6-13(7-9-15)19(26)25-21(30)24-18-16(20(27)28)11-14(22)12-17(18)23/h6-9,11-12H,2-5,10H2,1H3,(H,27,28)(H2,24,25,26,30) |
| InChiKey: | InChIKey=DAYIUYVQTQNHFS-UHFFFAOYSA-N |
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