basic_info |
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| Product_Name: | 1,4-BENZODIOXAN-2-CARBOXYLIC ACID, 3-PHENYL-, 2-(2-(DIETHYLAMINO)ETHOX Y)ETHYL ESTER, CITRATE, (E)- |
| CAS: | 100447-55-0 |
| EnglishSynonyms: | 1,4-BENZODIOXAN-2-CARBOXYLIC ACID, 3-PHENYL-, 2-(2-(DIETHYLAMINO)ETHOX Y)ETHYL ESTER, CITRATE, (E)- |
| pro_mdlNumber: | MFCD01659452 |
| pro_acceptors: | 6 |
| pro_donors: | 0 |
| pro_smile: | CCN(CC)CCOCCOC(=O)[C@@H]1[C@H](Oc2ccccc2O1)c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChi: | InChI=1S/C23H29NO5.C6H8O7/c1-3-24(4-2)14-15-26-16-17-27-23(25)22-21(18-10-6-5-7-11-18)28-19-12-8-9-13-20(19)29-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,21-22H,3-4,14-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t21-,22+;/m1./s1 |
| InChiKey: | InChIKey=HMXGHFLWBHEPPJ-NSLUPJTDSA-N |
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