basic_info |
|
| Product_Name: | RARECHEM AQ TC 1113 |
| EnglishSynonyms: | RARECHEM AQ TC 1113 |
| pro_mdlNumber: | MFCD06227708 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | c1ccc(cc1)S(=O)(=O)C2=C[C@@]34CCC[C@]3(C2Br)C(C(=C4)S(=O)(=O)c5ccccc5)Br.c1ccc(cc1)S(=O)(=O)C2=C[C@]34CCC[C@@]3(C2Br)C=C(C4Br)S(=O)(=O)c5ccccc5 |
| InChi: | InChI=1S/2C23H20Br2O4S2/c24-20-18(30(26,27)16-8-3-1-4-9-16)14-22-12-7-13-23(20,22)15-19(21(22)25)31(28,29)17-10-5-2-6-11-17;24-20-18(30(26,27)16-8-3-1-4-9-16)14-22-12-7-13-23(20,22)21(25)19(15-22)31(28,29)17-10-5-2-6-11-17/h2*1-6,8-11,14-15,20-21H,7,12-13H2/t20?,21?,22-,23-;20?,21?,22-,23+/m0./s1 |
| InChiKey: | InChIKey=MGWUFYIKPSOYBA-FJBKEBTJSA-N |
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