basic_info |
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| Product_Name: | BENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAS)- |
| CAS: | 851799-50-3 |
| EnglishSynonyms: | BENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAS)- |
| pro_mdlNumber: | MFCD12032110 |
| pro_acceptors: | 9 |
| pro_donors: | 2 |
| pro_smile: | COc1ccc(cc1N[C@@H](c2ccccc2)C(=O)O)CS(=O)(=O)/C=C/c3c(cc(cc3OC)OC)OC |
| InChi: | InChI=1S/C27H29NO8S/c1-33-20-15-24(35-3)21(25(16-20)36-4)12-13-37(31,32)17-18-10-11-23(34-2)22(14-18)28-26(27(29)30)19-8-6-5-7-9-19/h5-16,26,28H,17H2,1-4H3,(H,29,30)/b13-12+/t26-/m0/s1 |
| InChiKey: | InChIKey=KEVFAHSHSRDVLW-JYSHFMIGSA-N |
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