basic_info |
|
| Product_Name: | TRANS,TRANS-4'-PROPYLBICYCLOHEXYL-4-YL 4-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOATE |
| CAS: | 86603-66-9 |
| EnglishSynonyms: | TRANS,TRANS-4'-PROPYLBICYCLOHEXYL-4-YL 4-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOATE ; TRANS,TRANS-4''-PROPYLBICYCLOHEXYL-4-YL 4-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOATE ; TRANS,TRANS,TRANS-4-(4-PROPYL-CYCLOHEXYL)-BENZOIC ACID 4'-PROPYL-BICYCLOHEXYL-4-YL ESTER |
| pro_mdlNumber: | MFCD11053456 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)C(=O)OC3CCC(CC3)[C@H]4CC[C@@H](CC4)CCC |
| InChi: | InChI=1S/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h15-18,23-26,28,30H,3-14,19-22H2,1-2H3/t23-,24-,25-,26-,28?,30? |
| InChiKey: | InChIKey=DHCXQHKQRVGHAQ-JJFDTNOTSA-N |
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