basic_info |
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Product_Name: | ETHYL 4-(4-BUTYLPHENYL)-2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-HEXADECAFLUORONONANOYL)AMINO]THIOPHENE-3-CARBOXYLATE |
EnglishSynonyms: | ETHYL 4-(4-BUTYLPHENYL)-2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-HEXADECAFLUORONONANOYL)AMINO]THIOPHENE-3-CARBOXYLATE |
pro_mdlNumber: | MFCD02244225 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | C(CCC)C1=CC=C(C=C1)C=1C(=C(SC1)NC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)C(=O)OCC |
InChi: | InChI=1S/C26H21F16NO3S/c1-3-5-6-12-7-9-13(10-8-12)14-11-47-16(15(14)17(44)46-4-2)43-19(45)21(31,32)23(35,36)25(39,40)26(41,42)24(37,38)22(33,34)20(29,30)18(27)28/h7-11,18H,3-6H2,1-2H3,(H,43,45) |
InChiKey: | InChIKey=IRUPEKXLABUWFU-UHFFFAOYSA-N |
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