basic_info |
|
| Product_Name: | DISPERSE BLUE 94 |
| CAS: | 12235-96-0 |
| EnglishSynonyms: | DISPERSE BLUE 94 |
| pro_mdlNumber: | MFCD00800417 |
| pro_acceptors: | 14 |
| pro_donors: | 2 |
| pro_smile: | CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCO |
| InChi: | InChI=1S/C20H20BrN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)/b25-24+ |
| InChiKey: | InChIKey=MJEWVKATPDZNHU-OCOZRVBESA-N |
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