Pro_Molecular_Structure:
pro_cdbregno:CCD00458641
DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-2-HYDROXY-6-(4-METHYLPHENYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE
pro_formula:C26 H21 N3 O5
pro_molWeight:455.468
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| Product_Name： | DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-2-HYDROXY-6-(4-METHYLPHENYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE |
| EnglishSynonyms： | DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-2-HYDROXY-6-(4-METHYLPHENYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE |
| pro_mdlNumber： | MFCD04125296 |
| pro_acceptors： | 8 |
| pro_donors： | 1 |
| pro_smile： | Cc1ccc(cc1)C2C(=C(C(C(C2(C#N)C#N)c3ccc(cc3)C#N)C(=O)OC)O)C(=O)OC |
| InChi： | InChI=1S/C26H21N3O5/c1-15-4-8-17(9-5-15)21-19(24(31)33-2)23(30)20(25(32)34-3)22(26(21,13-28)14-29)18-10-6-16(12-27)7-11-18/h4-11,20-22,30H,1-3H3 |
| InChiKey： | InChIKey=SWDNLVJVNOMMMY-UHFFFAOYSA-N |
basic_info
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