basic_info |
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| Product_Name: | 2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID |
| CAS: | 535965-53-8 |
| EnglishSynonyms: | 2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID ; BENZOIC ACID, 2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO- |
| pro_mdlNumber: | MFCD03572822 |
| pro_acceptors: | 11 |
| pro_donors: | 3 |
| pro_smile: | c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O |
| InChi: | InChI=1S/C15H8I2N4O7S/c16-7-3-10(14(23)24)12(11(17)4-7)18-15(29)19-13(22)6-1-8(20(25)26)5-9(2-6)21(27)28/h1-5H,(H,23,24)(H2,18,19,22,29) |
| InChiKey: | InChIKey=YLGIWAIZRCMAKK-UHFFFAOYSA-N |
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