basic_info |
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| Product_Name: | 5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535978-14-4 |
| EnglishSynonyms: | 5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03573126 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1cc2c(cccc2Br)c(c1)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br |
| InChi: | InChI=1S/C19H12Br2N2O3S/c20-10-7-8-16(14(9-10)18(25)26)22-19(27)23-17(24)13-5-1-4-12-11(13)3-2-6-15(12)21/h1-9H,(H,25,26)(H2,22,23,24,27) |
| InChiKey: | InChIKey=XJKWUHBHSINLKX-UHFFFAOYSA-N |
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