2-[(MESITYLAMINO)CARBONYL]-7-NITRO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-3-IUM-3-OLATE

pro_cas
217317-46-9
pro_cdbregno
CCD00058773
pro_formula
C18 H14 F3 N3 O4 S
pro_molWeight
425.386

basic_info

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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