basic_info |
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| Product_Name: | 2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| CAS: | 531529-08-5 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565970 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCc1ccc(cc1)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C18H17IN2O4S/c1-2-11-3-6-13(7-4-11)25-10-16(22)21-18(26)20-15-8-5-12(19)9-14(15)17(23)24/h3-9H,2,10H2,1H3,(H,23,24)(H2,20,21,22,26) |
| InChiKey: | InChIKey=SISSULWKFZIIIB-UHFFFAOYSA-N |
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