basic_info |
|
| Product_Name： | SANGUIRITRINE |
| CAS： | 39404-28-9 |
| EnglishSynonyms： | SANGUIRITRINE |
| pro_mdlNumber： | MFCD01659679 |
| pro_acceptors： | 5 |
| pro_donors： | 0 |
| pro_smile： | C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6.C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5.OS(=O)(=O)[O-].OS(=O)(=O)[O-] |
| InChi： | InChI=1S/C21H18NO4.C20H14NO4.2H2O4S/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;2*1-5(2,3)4/h4-10H,11H2,1-3H3;2-8H,9-10H2,1H3;2*(H2,1,2,3,4)/q2*+1;;/p-2 |
| InChiKey： | InChIKey=WFMQQVSZXPURBB-UHFFFAOYSA-L |
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