basic_info |
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| Product_Name: | N,N-DIETHYL-1-ETHANAMINIUM 2-(2-(3-[3-(2-SULFONATOETHYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]-2-CYCLOPENTEN-1-YLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-ETHANESULFONATE |
| EnglishSynonyms: | N,N-DIETHYL-1-ETHANAMINIUM 2-(2-(3-[3-(2-SULFONATOETHYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]-2-CYCLOPENTEN-1-YLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-ETHANESULFONATE |
| pro_mdlNumber: | MFCD06409707 |
| pro_acceptors: | 8 |
| pro_donors: | 1 |
| pro_smile: | CCN(CC)CC.c1ccc2c(c1)[n+](c(s2)C3=C/C(=C/4\N(c5ccccc5S4)CCS(=O)(=O)O)/CC3)CCS(=O)(=O)[O-] |
| InChi: | InChI=1S/C23H22N2O6S4.C6H15N/c26-34(27,28)13-11-24-18-5-1-3-7-20(18)32-22(24)16-9-10-17(15-16)23-25(12-14-35(29,30)31)19-6-2-4-8-21(19)33-23;1-4-7(5-2)6-3/h1-8,15H,9-14H2,(H-,26,27,28,29,30,31);4-6H2,1-3H3 |
| InChiKey: | InChIKey=RRNCUBLLPOWXLD-UHFFFAOYSA-N |
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