basic_info |
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| Product_Name: | 2-CHLORO-5-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530149-67-8 |
| EnglishSynonyms: | 2-CHLORO-5-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-CHLORO-5-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03564952 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl |
| InChi: | InChI=1S/C21H23ClN2O4S/c1-2-3-4-5-12-28-16-9-6-14(7-10-16)19(25)24-21(29)23-15-8-11-18(22)17(13-15)20(26)27/h6-11,13H,2-5,12H2,1H3,(H,26,27)(H2,23,24,25,29) |
| InChiKey: | InChIKey=CAKVMSDDVRKAOO-UHFFFAOYSA-N |
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