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

  Molecular Weight	786.8499 [g/mol]
  Molecular Formula	C37H30N4O10S3
  XLogP	8
  H-Bond Donor	3
  H-Bond Acceptor	14
  Rotatable Bond Count	10
  Tautomer Count	3
  Exact Mass	786.112405
  MonoIsotopic Mass	786.112405
  Topological Polar Surface Area	222
  Heavy Atom Count	54
  Formal Charge	0
  Complexity	1640
  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	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 7-hydroxy-8-[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)
  sulfonyloxyphenyl]diazenylphenyl]phenyl]diazenylnaphthalene-1,
  3-disulfonic acid
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=
  NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)O)S(=O)(=O)O)O)C)C
  InChI: InChI=1/C37H30N4O10S3/c1-22-4-13-30(14-5-22)54(49,
  50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)
  19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,
  47)48/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)/b39-38+,41-40+/f/h43,46H