basic_info |
|
| Product_Name： | SIMONSINOL |
| CAS： | 155709-40-3 |
| EnglishSynonyms： | SIMONSINOL |
| pro_mdlNumber： | MFCD20260940 |
| pro_acceptors： | 3 |
| pro_donors： | 3 |
| pro_smile： | C=CCc1ccc(c(c1)c2cc(cc(c2O)c3ccc(c(c3)CC=C)O)CC=C)O |
| InChi： | InChI=1S/C27H26O3/c1-4-7-18-10-12-26(29)23(14-18)24-16-19(8-5-2)15-22(27(24)30)20-11-13-25(28)21(17-20)9-6-3/h4-6,10-17,28-30H,1-3,7-9H2 |
| InChiKey： | InChIKey=FAERQKZGOCHVNC-UHFFFAOYSA-N |
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