basic_info |
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| Product_Name: | OXIRANEOCTANOIC ACID,3-OCTYL-, 2,2-BIS[[[8-(3-OCTYLOXIRANYL)-1-OXOOCTYL]OXY]METHYL]-1,3-PROPANEDIYL ESTER |
| CAS: | 85006-09-3 |
| EnglishSynonyms: | OXIRANEOCTANOIC ACID,3-OCTYL-, 2,2-BIS[[[8-(3-OCTYLOXIRANYL)-1-OXOOCTYL]OXY]METHYL]-1,3-PROPANEDIYL ESTER |
| pro_mdlNumber: | MFCD21608115 |
| pro_acceptors: | 12 |
| pro_donors: | 0 |
| pro_smile: | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2C(O2)CCCCCCCC)(COC(=O)CCCCCCCC3C(O3)CCCCCCCC)COC(=O)CCCCCCCC4C(O4)CCCCCCCC |
| InChi: | InChI=1S/C77H140O12/c1-5-9-13-17-25-37-49-65-69(86-65)53-41-29-21-33-45-57-73(78)82-61-77(62-83-74(79)58-46-34-22-30-42-54-70-66(87-70)50-38-26-18-14-10-6-2,63-84-75(80)59-47-35-23-31-43-55-71-67(88-71)51-39-27-19-15-11-7-3)64-85-76(81)60-48-36-24-32-44-56-72-68(89-72)52-40-28-20-16-12-8-4/h65-72H,5-64H2,1-4H3 |
| InChiKey: | InChIKey=SMUKNEHKVGPDGS-UHFFFAOYSA-N |
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