basic_info |
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| Product_Name: | 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| CAS: | 535965-68-5 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03572835 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I)Br |
| InChi: | InChI=1S/C18H14BrIN2O4S/c1-26-15-6-3-11(19)8-10(15)2-7-16(23)22-18(27)21-14-5-4-12(20)9-13(14)17(24)25/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-2+ |
| InChiKey: | InChIKey=YGCSATCJOJALQM-FARCUNLSSA-N |
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