• 
  [Synonyms]
  NSC144490
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	693.01882 [g/mol]
  Molecular Formula	C26H28Cl3N5O7S2
  H-Bond Donor	3
  H-Bond Acceptor	12
  Rotatable Bond Count	8
  Tautomer Count	5
  Exact Mass	691.049573
  MonoIsotopic Mass	691.049573
  Topological Polar Surface Area	187
  Heavy Atom Count	43
  Formal Charge	0
  Complexity	1070
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (3,4-dichlorophenyl)
  4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,
  5-triazin-1-yl)phenoxy]methyl]benzenesulfonate; ethanesulfonic acid
  Canonical SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)S(=O)(=O)OC4=CC
  (=C(C=C4)Cl)Cl)Cl)N)N)C
  InChI: InChI=1/C24H22Cl3N5O4S.C2H6O3S/c1-24(2)31-22(28)30-23(29)32(24)15-5-10-
  21(20(27)11-15)35-13-14-3-7-17(8-4-14)37(33,
  34)36-16-6-9-18(25)19(26)12-16;1-2-6(3,4)5/h3-12H,13H2,1-2H3,(H4,28,29,
  30,31);2H2,1H3,(H,3,4,5)/f/h28-29H2;3H