basic_info |
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| Product_Name: | 5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531515-53-4 |
| EnglishSynonyms: | 5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03565491 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(c(cc1/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl)[N+](=O)[O-])Cl |
| InChi: | InChI=1S/C17H11Cl2N3O5S/c18-10-3-5-13(11(8-10)16(24)25)20-17(28)21-15(23)6-2-9-1-4-12(19)14(7-9)22(26)27/h1-8H,(H,24,25)(H2,20,21,23,28)/b6-2+ |
| InChiKey: | InChIKey=DLAJSEYPUIEINM-QHHAFSJGSA-N |
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