basic_info |
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| Product_Name: | RANELIC ACID |
| CAS: | 135459-90-4 |
| EnglishSynonyms: | RANELIC ACID ; 3-THIOPHENEACETIC ACID, 5-[BIS(CARBOXYMETHYL)AMINO]-2-CARBOXY-4-CYANO- ; 3-THIOPHENEACETIC ACID,5-[BIS(CARBOXYMETHYL)AMINO]-2-CARBOXY-4-CYANO- ; 5-[BIS(CARBOXYMETHYL)AMINO]-2-CARBOXY-4-CYANO-3-THIOPHENEACETIC ACID |
| pro_mdlNumber: | MFCD00868361 |
| pro_acceptors: | 10 |
| pro_donors: | 4 |
| pro_smile: | C(c1c(c(sc1C(=O)O)N(CC(=O)O)CC(=O)O)C#N)C(=O)O |
| InChi: | InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22) |
| InChiKey: | InChIKey=DJSXNILVACEBLP-UHFFFAOYSA-N |
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