basic_info |
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| Product_Name: | 1H-INDENE-1-ETHANOL, OCTAHYDRO-4-HYDROXY-BETA,7A-DIMETHYL-1-(4-METHYLBENZENESULFONATE),(BETAS,1R,3AR,4S,7AR) |
| CAS: | 66774-80-9 |
| EnglishSynonyms: | 1H-INDENE-1-ETHANOL, OCTAHYDRO-4-HYDROXY-BETA,7A-DIMETHYL-1-(4-METHYLBENZENESULFONATE),(BETAS,1R,3AR,4S,7AR) ; INHOFFEN LYTHGOE DIOL MONOTOSYLATE |
| pro_mdlNumber: | MFCD00144485 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O)C |
| InChi: | InChI=1S/C20H30O4S/c1-14-6-8-16(9-7-14)25(22,23)24-13-15(2)17-10-11-18-19(21)5-4-12-20(17,18)3/h6-9,15,17-19,21H,4-5,10-13H2,1-3H3/t15-,17-,18+,19+,20-/m1/s1 |
| InChiKey: | InChIKey=CZKSQENRQZPNOS-LFZDHENXSA-N |
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