basic_info |
|
| Product_Name： | CRISTATIC ACID |
| CAS： | 80557-13-7 |
| EnglishSynonyms： | CRISTATIC ACID |
| pro_mdlNumber： | MFCD09838070 |
| pro_acceptors： | 5 |
| pro_donors： | 3 |
| pro_smile： | Cc1cc(c(c(c1C(=O)O)O)C/C=C(\C)/CCCc2cc(oc2)C=C(C)C)O |
| InChi： | InChI=1S/C23H28O5/c1-14(2)10-18-12-17(13-28-18)7-5-6-15(3)8-9-19-20(24)11-16(4)21(22(19)25)23(26)27/h8,10-13,24-25H,5-7,9H2,1-4H3,(H,26,27)/b15-8+ |
| InChiKey： | InChIKey=SHLSLIGKNZUPMK-OVCLIPMQSA-N |
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