basic_info |
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Product_Name: | 4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT |
CAS: | 99749-49-2 |
EnglishSynonyms: | 4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT |
pro_mdlNumber: | MFCD00143365 |
pro_acceptors: | 8 |
pro_donors: | 2 |
pro_smile: | CCN(CC)CC.CCN(CC)CC.CC(CCN\1c2ccccc2S/C1=C\3/C(=O)N(C(=S)S3)CC(=O)O)S(=O)(=O)O |
InChi: | InChI=1S/C16H16N2O6S4.2C6H15N/c1-9(28(22,23)24)6-7-17-10-4-2-3-5-11(10)26-15(17)13-14(21)18(8-12(19)20)16(25)27-13;2*1-4-7(5-2)6-3/h2-5,9H,6-8H2,1H3,(H,19,20)(H,22,23,24);2*4-6H2,1-3H3/b15-13-;; |
InChiKey: | InChIKey=NECXDAMXKTVJHJ-FQGJLALVSA-N |
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