basic_info |
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Product_Name: | 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE |
CAS: | 174603-13-5 |
EnglishSynonyms: | 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE |
pro_mdlNumber: | MFCD23380155 |
pro_acceptors: | 10 |
pro_donors: | 4 |
pro_smile: | C1CN(CCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O.OS(=O)(=O)O |
InChi: | InChI=1S/C14H26N4O6.H2O4S/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;1-5(2,3)4/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);(H2,1,2,3,4) |
InChiKey: | InChIKey=XGACDHGBTFKJGR-UHFFFAOYSA-N |
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