basic_info |
|
| Product_Name： | ANILINE BLUE |
| EnglishSynonyms： | ANILINE BLUE |
| pro_mdlNumber： | MFCD00221691 |
| pro_acceptors： | 12 |
| pro_donors： | 5 |
| pro_smile： | Cc1cc(cc(c1N)S(=O)(=O)O)C(=C2C=CC(=Nc3ccc(cc3)S(=O)(=O)O)C=C2)c4ccc(cc4)Nc5ccc(cc5)S(=O)(=O)O |
| InChi： | InChI=1S/C32H27N3O9S3/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)/b31-22-,35-25+ |
| InChiKey： | InChIKey=WXESCRGMRLUOGU-RIUVSAGESA-N |
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