• 
  [Synonyms]
  Nile Blue sulfate
  Nile Blue A
  Nile Blue A sulfate
  Basic Blue- 12
  N0766_SIGMA
  N5632_SIGMA
  121479_ALDRICH
  NSC 3250
  72480_FLUKA
  EINECS 222-832-5
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	732.8472 [g/mol]
  Molecular Formula	C40H40N6O6S
  H-Bond Donor	2
  H-Bond Acceptor	10
  Rotatable Bond Count	6
  Exact Mass	732.273004
  MonoIsotopic Mass	732.273004
  Topological Polar Surface Area	181
  Heavy Atom Count	53
  Formal Charge	0
  Complexity	625
  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	3

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (9-diethylaminobenzo[a]phenoxazin-5-ylidene)azanium sulfate
  Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.CCN(CC)C1=CC2=C(C=
  C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.[O-]S(=O)(=O)[O-]
  InChI: InChI=1/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16
  (21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,
  1,2,3,4)/f2C20H20N3O.O4S/h2*21H;/q2*+1;-2