• 
  [Synonyms]
  Allochrisine
  Allochrysine
  Aurotiopoe
  Chrysanol
  Sodium aurothiopropanolsulfonate
  Aurothiopropanol sodium sulfonate
  EINECS 282-145-1
  Natrium 3-(aurothio)-2-hydroxypropansulfonat
  LS-22241
  LS-186713
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	311.28728 [g/mol]
  Molecular Formula	C14H17NO7-2
  H-Bond Donor	3
  H-Bond Acceptor	8
  Rotatable Bond Count	4
  Tautomer Count	3
  Exact Mass	311.100502
  MonoIsotopic Mass	311.100502
  Topological Polar Surface Area	154
  Heavy Atom Count	22
  Formal Charge	-2
  Complexity	302
  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: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-methylidenepentanedioate
  Canonical SMILES: CC1=NC=C(C(=C1O)CO)CO.C=C(CCC(=O)[O-])C(=O)[O-]
  InChI: InChI=1/C8H11NO3.C6H8O4/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-4(6(9)10)2-3-5
  (7)8/h2,10-12H,3-4H2,1H3;1-3H2,(H,7,8)(H,9,10)/p-2/fC8H11NO3.C6H6O4/q;-2