basic_info |
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Product_Name: | 2-[(MESITYLAMINO)CARBONYL]-7-NITRO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-3-IUM-3-OLATE |
CAS: | 217317-46-9 |
EnglishSynonyms: | 2-[(MESITYLAMINO)CARBONYL]-7-NITRO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-3-IUM-3-OLATE |
pro_mdlNumber: | MFCD00115902 |
pro_acceptors: | 7 |
pro_donors: | 1 |
pro_smile: | Cc1cc(c(c(c1)C)NC(=O)c2[n+](c3cc(cc(c3s2)[N+](=O)[O-])C(F)(F)F)[O-])C |
InChi: | InChI=1S/C18H14F3N3O4S/c1-8-4-9(2)14(10(3)5-8)22-16(25)17-23(26)12-6-11(18(19,20)21)7-13(24(27)28)15(12)29-17/h4-7H,1-3H3,(H,22,25) |
InChiKey: | InChIKey=QMHIOPHEOHWALD-UHFFFAOYSA-N |
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